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4-ethenyl-N-{[8-(furan-3-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl}benzamide

ChemBase ID: 323403
Molecular Formular: C23H26N2O4
Molecular Mass: 394.46354
Monoisotopic Mass: 394.18925732
SMILES and InChIs

SMILES:
C(=O)(c1cocc1)N1CCC2(OC(CNC(=O)c3ccc(C=C)cc3)CC2)CC1
Canonical SMILES:
C=Cc1ccc(cc1)C(=O)NCC1CCC2(O1)CCN(CC2)C(=O)c1cocc1
InChI:
InChI=1S/C23H26N2O4/c1-2-17-3-5-18(6-4-17)21(26)24-15-20-7-9-23(29-20)10-12-25(13-11-23)22(27)19-8-14-28-16-19/h2-6,8,14,16,20H,1,7,9-13,15H2,(H,24,26)
InChIKey:
KFIZATZQEGCUON-UHFFFAOYSA-N

Cite this record

CBID:323403 http://www.chembase.cn/molecule-323403.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-ethenyl-N-{[8-(furan-3-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl}benzamide
IUPAC Traditional name
4-ethenyl-N-{[8-(furan-3-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl}benzamide
Synonyms
N-{[8-(3-furoyl)-1-oxa-8-azaspiro[4.5]dec-2-yl]methyl}-4-vinylbenzamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 14.990229  H Acceptors
H Donor LogD (pH = 5.5) 2.3747423 
LogD (pH = 7.4) 2.3747425  Log P 2.3747425 
Molar Refractivity 110.7699 cm3 Polarizability 41.791405 Å3
Polar Surface Area 71.78 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.83  LOG S -6.09 
Polar Surface Area 71.78 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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