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N-cyclopentyl-3-(2-oxopyrrolidin-1-yl)-N-({4-[2-(pyridin-2-yl)ethoxy]phenyl}methyl)benzamide
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ChemBase ID:
360302
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Molecular Formular:
C30H33N3O3
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Molecular Mass:
483.60132
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Monoisotopic Mass:
483.25219193
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SMILES and InChIs
SMILES:
C(=O)(N(Cc1ccc(cc1)OCCc1ncccc1)C1CCCC1)c1cc(N2C(=O)CCC2)ccc1
Canonical SMILES:
O=C1CCCN1c1cccc(c1)C(=O)N(C1CCCC1)Cc1ccc(cc1)OCCc1ccccn1
InChI:
InChI=1S/C30H33N3O3/c34-29-12-6-19-32(29)27-11-5-7-24(21-27)30(35)33(26-9-1-2-10-26)22-23-13-15-28(16-14-23)36-20-17-25-8-3-4-18-31-25/h3-5,7-8,11,13-16,18,21,26H,1-2,6,9-10,12,17,19-20,22H2
InChIKey:
GRQUMOAGEAMDGX-UHFFFAOYSA-N
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Cite this record
CBID:360302 http://www.chembase.cn/molecule-360302.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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N-cyclopentyl-3-(2-oxopyrrolidin-1-yl)-N-({4-[2-(pyridin-2-yl)ethoxy]phenyl}methyl)benzamide
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IUPAC Traditional name
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N-cyclopentyl-3-(2-oxopyrrolidin-1-yl)-N-({4-[2-(pyridin-2-yl)ethoxy]phenyl}methyl)benzamide
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Synonyms
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N-cyclopentyl-3-(2-oxo-1-pyrrolidinyl)-N-{4-[2-(2-pyridinyl)ethoxy]benzyl}benzamide
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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)
H Acceptors
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4
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H Donor
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0
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LogD (pH = 5.5)
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4.1588497
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LogD (pH = 7.4)
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4.343797
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Log P
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4.3468065
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Molar Refractivity
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139.9259 cm3
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Polarizability
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53.882122 Å3
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Polar Surface Area
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62.74 Å2
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Rotatable Bonds
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9
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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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0
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Log P
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5.0
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LOG S
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-6.45
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Polar Surface Area
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62.74 Å2
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Rotatable Bonds
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9
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent