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N-(oxan-4-yl)-3-{5-oxo-2-[(4-phenylphenyl)methyl]pyrrolidin-2-yl}propanamide

ChemBase ID: 320269
Molecular Formular: C25H30N2O3
Molecular Mass: 406.5173
Monoisotopic Mass: 406.22564283
SMILES and InChIs

SMILES:
N1C(Cc2ccc(c3ccccc3)cc2)(CCC(=O)NC2CCOCC2)CCC1=O
Canonical SMILES:
O=C(NC1CCOCC1)CCC1(CCC(=O)N1)Cc1ccc(cc1)c1ccccc1
InChI:
InChI=1S/C25H30N2O3/c28-23(26-22-12-16-30-17-13-22)10-14-25(15-11-24(29)27-25)18-19-6-8-21(9-7-19)20-4-2-1-3-5-20/h1-9,22H,10-18H2,(H,26,28)(H,27,29)
InChIKey:
XRZVJWTVYWDKRD-UHFFFAOYSA-N

Cite this record

CBID:320269 http://www.chembase.cn/molecule-320269.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(oxan-4-yl)-3-{5-oxo-2-[(4-phenylphenyl)methyl]pyrrolidin-2-yl}propanamide
IUPAC Traditional name
N-(oxan-4-yl)-3-{5-oxo-2-[(4-phenylphenyl)methyl]pyrrolidin-2-yl}propanamide
Synonyms
3-[2-(4-biphenylylmethyl)-5-oxo-2-pyrrolidinyl]-N-(tetrahydro-2H-pyran-4-yl)propanamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Polarizability 46.876526 Å3 Polar Surface Area 67.43 Å2
Rotatable Bonds Lipinski's Rule of Five true 
Acid pKa 14.4878235  H Acceptors
H Donor LogD (pH = 5.5) 2.4458625 
LogD (pH = 7.4) 2.445863  Log P 2.445863 
Molar Refractivity 117.0549 cm3
Polar Surface Area 67.43 Å2 Rotatable Bonds
H Acceptors H Donor
Log P 2.17  LOG S -3.32 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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