2-ethoxy-N-[(4-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]acetamide

• ChemBase编号: 816381
• 分子式: C20H25NO3
• 平均质量: 327.4174
• 单一同位素质量: 327.18344367
• SMILES: N(C(=O)COCC)(Cc1cc(ccc1)C)Cc1ccc(cc1)OC
• Canonical SMILES: CCOCC(=O)N(Cc1cccc(c1)C)Cc1ccc(cc1)OC
• InChI: InChI=1S/C20H25NO3/c1-4-24-15-20(22)21(14-18-7-5-6-16(2)12-18)13-17-8-10-19(23-3)11-9-17/h5-12H,4,13-15H2,1-3H3
• InChIKey: OYEJPYGPEQNSGJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-ethoxy-N-[(4-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]acetamide
• IUPAC传统名: 2-ethoxy-N-[(4-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]acetamide
• 别名: 2-ethoxy-N-(4-methoxybenzyl)-N-(3-methylbenzyl)acetamide

理论计算性质

JChem

• Acid pKa: 19.736364
• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 3.4044466
• LogD (pH = 7.4): 3.4044466
• Log P: 3.4044466
• 摩尔折射率: 96.1909 cm^3
• 极化性: 37.150703 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: 3.68
• LOG S: -4.73
• 极化表面积: 38.77 Å^2
• 可自由旋转的化学键: 8