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8-benzoyl-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one

ChemBase ID: 420260
Molecular Formular: C18H24N2O3
Molecular Mass: 316.39476
Monoisotopic Mass: 316.17869264
SMILES and InChIs

SMILES:
N1(C(=O)c2ccccc2)CC2(CN(C(=O)CC2)CCO)CCC1
Canonical SMILES:
OCCN1CC2(CCCN(C2)C(=O)c2ccccc2)CCC1=O
InChI:
InChI=1S/C18H24N2O3/c21-12-11-19-13-18(9-7-16(19)22)8-4-10-20(14-18)17(23)15-5-2-1-3-6-15/h1-3,5-6,21H,4,7-14H2
InChIKey:
DSRJJWWCOCUEHP-UHFFFAOYSA-N

Cite this record

CBID:420260 http://www.chembase.cn/molecule-420260.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
8-benzoyl-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
IUPAC Traditional name
8-benzoyl-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
Synonyms
8-benzoyl-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one

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 15.574227  H Acceptors
H Donor LogD (pH = 5.5) 0.6215866 
LogD (pH = 7.4) 0.62158704  Log P 0.62158704 
Molar Refractivity 88.2302 cm3 Polarizability 33.798916 Å3
Polar Surface Area 60.85 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.14  LOG S -2.94 
Polar Surface Area 60.85 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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