(2E)-3-(2-chlorophenyl)-N-{[4-(cyclobutylmethoxy)phenyl]methyl}-N-cyclopropylprop-2-enamide

• ChemBase ID: 649226
• Molecular Formular: C24H26ClNO2
• Molecular Mass: 395.92174
• Monoisotopic Mass: 395.16520676
• SMILES: N(C(=O)/C=C/c1c(Cl)cccc1)(C1CC1)Cc1ccc(OCC2CCC2)cc1
• Canonical SMILES: O=C(N(C1CC1)Cc1ccc(cc1)OCC1CCC1)/C=C/c1ccccc1Cl
• InChI: InChI=1S/C24H26ClNO2/c25-23-7-2-1-6-20(23)10-15-24(27)26(21-11-12-21)16-18-8-13-22(14-9-18)28-17-19-4-3-5-19/h1-2,6-10,13-15,19,21H,3-5,11-12,16-17H2/b15-10+
• InChIKey: BYOWUJYPJXOZIE-XNTDXEJSSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2E)-3-(2-chlorophenyl)-N-{[4-(cyclobutylmethoxy)phenyl]methyl}-N-cyclopropylprop-2-enamide
• IUPAC Traditional name: (2E)-3-(2-chlorophenyl)-N-{[4-(cyclobutylmethoxy)phenyl]methyl}-N-cyclopropylprop-2-enamide
• Synonyms: (2E)-3-(2-chlorophenyl)-N-[4-(cyclobutylmethoxy)benzyl]-N-cyclopropylacrylamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 5.98
• LOG S: -6.75
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 8

JChem

• H Donor: 0
• LogD (pH = 5.5): 5.6380525
• LogD (pH = 7.4): 5.638053
• Log P: 5.638053
• Molar Refractivity: 114.3103 cm^3
• Polarizability: 44.144833 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false
• H Acceptors: 2