N-{[4-(cyclobutylmethoxy)phenyl]methyl}-N-cyclopropyl-2,4-dimethoxybenzamide

• ChemBase编号: 786290
• 分子式: C24H29NO4
• 平均质量: 395.49136
• 单一同位素质量: 395.20965841
• SMILES: C(=O)(c1c(cc(cc1)OC)OC)N(C1CC1)Cc1ccc(OCC2CCC2)cc1
• Canonical SMILES: COc1cc(OC)ccc1C(=O)N(C1CC1)Cc1ccc(cc1)OCC1CCC1
• InChI: InChI=1S/C24H29NO4/c1-27-21-12-13-22(23(14-21)28-2)24(26)25(19-8-9-19)15-17-6-10-20(11-7-17)29-16-18-4-3-5-18/h6-7,10-14,18-19H,3-5,8-9,15-16H2,1-2H3
• InChIKey: BUQCVLNXPNLUGH-UHFFFAOYSA-N

名称和登记号

名称

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

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 4.213408
• LogD (pH = 7.4): 4.213408
• Log P: 4.213408
• 摩尔折射率: 112.6862 cm^3
• 极化性: 43.578938 Å^3
• 极化表面积: 48.0 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 4.83
• LOG S: -4.91
• 极化表面积: 48.0 Å^2
• 可自由旋转的化学键: 7