N-[(4-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]propanamide

• ChemBase编号: 524107
• 分子式: C19H23NO2
• 平均质量: 297.39142
• 单一同位素质量: 297.17287898
• SMILES: N(C(=O)CC)(Cc1cc(ccc1)C)Cc1ccc(cc1)OC
• Canonical SMILES: CCC(=O)N(Cc1cccc(c1)C)Cc1ccc(cc1)OC
• InChI: InChI=1S/C19H23NO2/c1-4-19(21)20(14-17-7-5-6-15(2)12-17)13-16-8-10-18(22-3)11-9-16/h5-12H,4,13-14H2,1-3H3
• InChIKey: QDVUYFCVPBKVIN-UHFFFAOYSA-N

名称和登记号

名称

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

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 3.922296
• LogD (pH = 7.4): 3.922296
• Log P: 3.922296
• 摩尔折射率: 89.6158 cm^3
• 极化性: 34.63055 Å^3
• 极化表面积: 29.54 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: 2
• 质子供体: 0
• Log P: 3.58
• LOG S: -4.43
• 极化表面积: 29.54 Å^2
• 可自由旋转的化学键: 6