N-{[4-(cyclobutylmethoxy)phenyl]methyl}-N-cyclopropyl-2-(thiophen-3-yl)acetamide

• ChemBase编号: 641139
• 分子式: C21H25NO2S
• 平均质量: 355.4937
• 单一同位素质量: 355.16060005
• SMILES: C(=O)(N(C1CC1)Cc1ccc(OCC2CCC2)cc1)Cc1cscc1
• Canonical SMILES: O=C(N(C1CC1)Cc1ccc(cc1)OCC1CCC1)Cc1cscc1
• InChI: InChI=1S/C21H25NO2S/c23-21(12-18-10-11-25-15-18)22(19-6-7-19)13-16-4-8-20(9-5-16)24-14-17-2-1-3-17/h4-5,8-11,15,17,19H,1-3,6-7,12-14H2
• InChIKey: AJZCJJSTOJQLBC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-{[4-(cyclobutylmethoxy)phenyl]methyl}-N-cyclopropyl-2-(thiophen-3-yl)acetamide
• IUPAC传统名: N-{[4-(cyclobutylmethoxy)phenyl]methyl}-N-cyclopropyl-2-(thiophen-3-yl)acetamide
• 别名: N-[4-(cyclobutylmethoxy)benzyl]-N-cyclopropyl-2-(3-thienyl)acetamide

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 4.2893577
• LogD (pH = 7.4): 4.289358
• Log P: 4.289358
• 摩尔折射率: 100.917 cm^3
• 极化性: 39.248314 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: 3.98
• LOG S: -5.31
• 极化表面积: 29.54 Å^2
• 可自由旋转的化学键: 8