N-{[4-(cyclobutylmethoxy)phenyl]methyl}-N-cyclopropyl-3-methoxybenzamide

• ChemBase编号: 657521
• 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)c1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)C(=O)N(C1CC1)Cc1ccc(cc1)OCC1CCC1
• InChI: InChI=1S/C23H27NO3/c1-26-22-7-3-6-19(14-22)23(25)24(20-10-11-20)15-17-8-12-21(13-9-17)27-16-18-4-2-5-18/h3,6-9,12-14,18,20H,2,4-5,10-11,15-16H2,1H3
• InChIKey: FQFTUSYUIJMZKK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-{[4-(cyclobutylmethoxy)phenyl]methyl}-N-cyclopropyl-3-methoxybenzamide
• IUPAC传统名: N-{[4-(cyclobutylmethoxy)phenyl]methyl}-N-cyclopropyl-3-methoxybenzamide
• 别名: N-[4-(cyclobutylmethoxy)benzyl]-N-cyclopropyl-3-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: 41.06104 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: -5.05
• 极化表面积: 38.77 Å^2
• 可自由旋转的化学键: 7