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N-{[8-(furan-3-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl}-2-(naphthalen-1-yl)acetamide
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ChemBase ID:
323129
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Molecular Formular:
C26H28N2O4
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Molecular Mass:
432.51152
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Monoisotopic Mass:
432.20490739
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SMILES and InChIs
SMILES:
C(=O)(c1cocc1)N1CCC2(OC(CNC(=O)Cc3c4c(ccc3)cccc4)CC2)CC1
Canonical SMILES:
O=C(Cc1cccc2c1cccc2)NCC1CCC2(O1)CCN(CC2)C(=O)c1cocc1
InChI:
InChI=1S/C26H28N2O4/c29-24(16-20-6-3-5-19-4-1-2-7-23(19)20)27-17-22-8-10-26(32-22)11-13-28(14-12-26)25(30)21-9-15-31-18-21/h1-7,9,15,18,22H,8,10-14,16-17H2,(H,27,29)
InChIKey:
CWRSHBYORQBMAC-UHFFFAOYSA-N
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Cite this record
CBID:323129 http://www.chembase.cn/molecule-323129.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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N-{[8-(furan-3-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl}-2-(naphthalen-1-yl)acetamide
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IUPAC Traditional name
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N-{[8-(furan-3-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl}-2-(naphthalen-1-yl)acetamide
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Synonyms
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N-{[8-(3-furoyl)-1-oxa-8-azaspiro[4.5]dec-2-yl]methyl}-2-(1-naphthyl)acetamide
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
Acid pKa
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15.366486
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H Acceptors
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3
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H Donor
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1
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LogD (pH = 5.5)
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2.6076825
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LogD (pH = 7.4)
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2.6076825
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Log P
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2.6076825
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Molar Refractivity
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121.5852 cm3
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Polarizability
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47.81999 Å3
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Polar Surface Area
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71.78 Å2
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Rotatable Bonds
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5
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Lipinski's Rule of Five
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true
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H Acceptors
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4
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H Donor
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1
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Log P
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4.2
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LOG S
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-6.2
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Polar Surface Area
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71.78 Å2
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Rotatable Bonds
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5
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent