N,N-dimethyl-2-[4-(3,4,5-trimethoxyphenyl)phenyl]acetamide

• ChemBase编号: 745892
• 分子式: C19H23NO4
• 平均质量: 329.39022
• 单一同位素质量: 329.16270822
• SMILES: c1(c(cc(cc1OC)c1ccc(CC(=O)N(C)C)cc1)OC)OC
• Canonical SMILES: COc1cc(cc(c1OC)OC)c1ccc(cc1)CC(=O)N(C)C
• InChI: InChI=1S/C19H23NO4/c1-20(2)18(21)10-13-6-8-14(9-7-13)15-11-16(22-3)19(24-5)17(12-15)23-4/h6-9,11-12H,10H2,1-5H3
• InChIKey: YMLJZPSMNIQHLX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,N-dimethyl-2-[4-(3,4,5-trimethoxyphenyl)phenyl]acetamide
• IUPAC传统名: N,N-dimethyl-2-[4-(3,4,5-trimethoxyphenyl)phenyl]acetamide
• 别名: N,N-dimethyl-2-(3',4',5'-trimethoxybiphenyl-4-yl)acetamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 2.425615
• LogD (pH = 7.4): 2.425615
• Log P: 2.425615
• 摩尔折射率: 93.507 cm^3
• 极化性: 37.401737 Å^3
• 极化表面积: 48.0 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 1.76
• LOG S: -3.1
• 极化表面积: 48.0 Å^2
• 可自由旋转的化学键: 6