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N-({8-benzyl-1-oxa-8-azaspiro[4.5]decan-2-yl}methyl)-2-methoxy-2-phenylacetamide

ChemBase ID: 450184
Molecular Formular: C25H32N2O3
Molecular Mass: 408.53318
Monoisotopic Mass: 408.24129289
SMILES and InChIs

SMILES:
C(=O)(NCC1OC2(CCN(Cc3ccccc3)CC2)CC1)C(c1ccccc1)OC
Canonical SMILES:
COC(c1ccccc1)C(=O)NCC1CCC2(O1)CCN(CC2)Cc1ccccc1
InChI:
InChI=1S/C25H32N2O3/c1-29-23(21-10-6-3-7-11-21)24(28)26-18-22-12-13-25(30-22)14-16-27(17-15-25)19-20-8-4-2-5-9-20/h2-11,22-23H,12-19H2,1H3,(H,26,28)
InChIKey:
XHUGRGRARYVJTQ-UHFFFAOYSA-N

Cite this record

CBID:450184 http://www.chembase.cn/molecule-450184.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-({8-benzyl-1-oxa-8-azaspiro[4.5]decan-2-yl}methyl)-2-methoxy-2-phenylacetamide
IUPAC Traditional name
N-({8-benzyl-1-oxa-8-azaspiro[4.5]decan-2-yl}methyl)-2-methoxy-2-phenylacetamide
Synonyms
N-[(8-benzyl-1-oxa-8-azaspiro[4.5]dec-2-yl)methyl]-2-methoxy-2-phenylacetamide

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 14.104555  H Acceptors
H Donor LogD (pH = 5.5) 0.03661723 
LogD (pH = 7.4) 1.7471509  Log P 3.0493326 
Molar Refractivity 118.3819 cm3 Polarizability 46.521896 Å3
Polar Surface Area 50.8 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 4.25  LOG S -3.94 
Polar Surface Area 50.8 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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