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

• ChemBase编号: 419350
• 分子式: C23H27NO3
• 平均质量: 365.46538
• 单一同位素质量: 365.19909373
• SMILES: N(C(=O)c1ccc(cc1)OC)(C1CC1)Cc1ccc(OCC2CCC2)cc1
• Canonical SMILES: COc1ccc(cc1)C(=O)N(C1CC1)Cc1ccc(cc1)OCC1CCC1
• InChI: InChI=1S/C23H27NO3/c1-26-21-13-7-19(8-14-21)23(25)24(20-9-10-20)15-17-5-11-22(12-6-17)27-16-18-3-2-4-18/h5-8,11-14,18,20H,2-4,9-10,15-16H2,1H3
• InChIKey: BOBNAGFXVVTPSK-UHFFFAOYSA-N

名称和登记号

名称

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

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 4.371079
• LogD (pH = 7.4): 4.3710794
• Log P: 4.3710794
• 摩尔折射率: 106.223 cm^3
• 极化性: 41.060417 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: -4.8
• 极化表面积: 38.77 Å^2
• 可自由旋转的化学键: 7