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

• ChemBase编号: 707775
• 分子式: C23H27NO3
• 平均质量: 365.46538
• 单一同位素质量: 365.19909373
• SMILES: C(=O)(N(C1CC1)Cc1ccc(OCC2CCC2)cc1)c1c(OC)cccc1
• Canonical SMILES: COc1ccccc1C(=O)N(C1CC1)Cc1ccc(cc1)OCC1CCC1
• InChI: InChI=1S/C23H27NO3/c1-26-22-8-3-2-7-21(22)23(25)24(19-11-12-19)15-17-9-13-20(14-10-17)27-16-18-5-4-6-18/h2-3,7-10,13-14,18-19H,4-6,11-12,15-16H2,1H3
• InChIKey: AQGPKLPDTGRTHB-UHFFFAOYSA-N

名称和登记号

名称

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

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 4.3710794
• LogD (pH = 7.4): 4.3710794
• Log P: 4.3710794
• 摩尔折射率: 106.223 cm^3
• 极化性: 41.06315 Å^3
• 极化表面积: 38.77 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: 3
• 质子供体: 0
• Log P: 4.82
• LOG S: -5.19
• 极化表面积: 38.77 Å^2
• 可自由旋转的化学键: 7