N-[(5-chloro-2-methoxyphenyl)methyl]-2-(3,4-dimethoxyphenyl)-N-ethylacetamide

• ChemBase编号: 444988
• 分子式: C20H24ClNO4
• 平均质量: 377.86186
• 单一同位素质量: 377.13938593
• SMILES: C(=O)(N(Cc1c(ccc(c1)Cl)OC)CC)Cc1cc(c(cc1)OC)OC
• Canonical SMILES: CCN(C(=O)Cc1ccc(c(c1)OC)OC)Cc1cc(Cl)ccc1OC
• InChI: InChI=1S/C20H24ClNO4/c1-5-22(13-15-12-16(21)7-9-17(15)24-2)20(23)11-14-6-8-18(25-3)19(10-14)26-4/h6-10,12H,5,11,13H2,1-4H3
• InChIKey: UGWHXUDCJLSHAV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[(5-chloro-2-methoxyphenyl)methyl]-2-(3,4-dimethoxyphenyl)-N-ethylacetamide
• IUPAC传统名: N-[(5-chloro-2-methoxyphenyl)methyl]-2-(3,4-dimethoxyphenyl)-N-ethylacetamide
• 别名: N-(5-chloro-2-methoxybenzyl)-2-(3,4-dimethoxyphenyl)-N-ethylacetamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 3.4637156
• LogD (pH = 7.4): 3.4637156
• Log P: 3.4637156
• 摩尔折射率: 102.5368 cm^3
• 极化性: 39.756924 Å^3
• 极化表面积: 48.0 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: 4
• 质子供体: 0
• Log P: 3.61
• LOG S: -5.04
• 极化表面积: 48.0 Å^2
• 可自由旋转的化学键: 8