N-{[4-(cyclobutylmethoxy)phenyl]methyl}-N-cyclopropyl-2-(4-fluorophenyl)acetamide

• ChemBase编号: 820887
• 分子式: C23H26FNO2
• 平均质量: 367.4564432
• 单一同位素质量: 367.1947573
• SMILES: C(=O)(N(C1CC1)Cc1ccc(OCC2CCC2)cc1)Cc1ccc(F)cc1
• Canonical SMILES: O=C(N(C1CC1)Cc1ccc(cc1)OCC1CCC1)Cc1ccc(cc1)F
• InChI: InChI=1S/C23H26FNO2/c24-20-8-4-17(5-9-20)14-23(26)25(21-10-11-21)15-18-6-12-22(13-7-18)27-16-19-2-1-3-19/h4-9,12-13,19,21H,1-3,10-11,14-16H2
• InChIKey: ZCYODVZOWMHUAH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-{[4-(cyclobutylmethoxy)phenyl]methyl}-N-cyclopropyl-2-(4-fluorophenyl)acetamide
• IUPAC传统名: N-{[4-(cyclobutylmethoxy)phenyl]methyl}-N-cyclopropyl-2-(4-fluorophenyl)acetamide
• 别名: N-[4-(cyclobutylmethoxy)benzyl]-N-cyclopropyl-2-(4-fluorophenyl)acetamide

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 4.651618
• LogD (pH = 7.4): 4.651618
• Log P: 4.651618
• 摩尔折射率: 104.0276 cm^3
• 极化性: 40.249508 Å^3
• 极化表面积: 29.54 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 2
• 质子供体: 0
• Log P: 4.48
• LOG S: -5.79
• 极化表面积: 29.54 Å^2
• 可自由旋转的化学键: 8