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N-{[3-(furan-2-ylmethoxy)-4-methoxyphenyl]methyl}-N-(oxolan-2-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzamide
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ChemBase ID:
340549
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Molecular Formular:
C29H32N2O6
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Molecular Mass:
504.57418
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Monoisotopic Mass:
504.22603675
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SMILES and InChIs
SMILES:
N(C(=O)c1ccc(N2C(=O)CCC2)cc1)(Cc1cc(OCc2occc2)c(cc1)OC)CC1OCCC1
Canonical SMILES:
COc1ccc(cc1OCc1ccco1)CN(C(=O)c1ccc(cc1)N1CCCC1=O)CC1CCCO1
InChI:
InChI=1S/C29H32N2O6/c1-34-26-13-8-21(17-27(26)37-20-25-6-4-16-36-25)18-30(19-24-5-3-15-35-24)29(33)22-9-11-23(12-10-22)31-14-2-7-28(31)32/h4,6,8-13,16-17,24H,2-3,5,7,14-15,18-20H2,1H3
InChIKey:
MZEZAKCIAHSZDT-UHFFFAOYSA-N
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Cite this record
CBID:340549 http://www.chembase.cn/molecule-340549.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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N-{[3-(furan-2-ylmethoxy)-4-methoxyphenyl]methyl}-N-(oxolan-2-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzamide
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IUPAC Traditional name
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N-{[3-(furan-2-ylmethoxy)-4-methoxyphenyl]methyl}-N-(oxolan-2-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzamide
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Synonyms
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N-[3-(2-furylmethoxy)-4-methoxybenzyl]-4-(2-oxo-1-pyrrolidinyl)-N-(tetrahydro-2-furanylmethyl)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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5
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H Donor
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0
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LogD (pH = 5.5)
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3.212457
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LogD (pH = 7.4)
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3.212457
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Log P
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3.212457
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Molar Refractivity
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138.6012 cm3
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Polarizability
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53.10951 Å3
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Polar Surface Area
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81.45 Å2
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Rotatable Bonds
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10
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Lipinski's Rule of Five
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false
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H Acceptors
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6
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H Donor
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0
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Log P
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4.34
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LOG S
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-4.95
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Polar Surface Area
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81.45 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