N-cyclopentyl-N-{[4-methoxy-3-(propan-2-yloxy)phenyl]methyl}-4-(2-oxopyrrolidin-1-yl)benzamide

• ChemBase ID: 668481
• Molecular Formular: C27H34N2O4
• Molecular Mass: 450.56986
• Monoisotopic Mass: 450.25185758
• SMILES: C(=O)(N(Cc1cc(OC(C)C)c(cc1)OC)C1CCCC1)c1ccc(N2C(=O)CCC2)cc1
• Canonical SMILES: COc1ccc(cc1OC(C)C)CN(C(=O)c1ccc(cc1)N1CCCC1=O)C1CCCC1
• InChI: InChI=1S/C27H34N2O4/c1-19(2)33-25-17-20(10-15-24(25)32-3)18-29(22-7-4-5-8-22)27(31)21-11-13-23(14-12-21)28-16-6-9-26(28)30/h10-15,17,19,22H,4-9,16,18H2,1-3H3
• InChIKey: KZRYIDSODKNPGC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-N-{[4-methoxy-3-(propan-2-yloxy)phenyl]methyl}-4-(2-oxopyrrolidin-1-yl)benzamide
• IUPAC Traditional name: N-cyclopentyl-N-[(3-isopropoxy-4-methoxyphenyl)methyl]-4-(2-oxopyrrolidin-1-yl)benzamide
• Synonyms: N-cyclopentyl-N-(3-isopropoxy-4-methoxybenzyl)-4-(2-oxo-1-pyrrolidinyl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.137233
• LogD (pH = 7.4): 4.1372333
• Log P: 4.1372333
• Molar Refractivity: 128.9236 cm^3
• Polarizability: 49.622665 Å^3
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.97
• LOG S: -5.37
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 6