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

• ChemBase编号: 553123
• 分子式: C19H23NO3
• 平均质量: 313.39082
• 单一同位素质量: 313.1677936
• SMILES: N(C(=O)COC)(Cc1c(OC)cccc1)Cc1cc(ccc1)C
• Canonical SMILES: COCC(=O)N(Cc1ccccc1OC)Cc1cccc(c1)C
• InChI: InChI=1S/C19H23NO3/c1-15-7-6-8-16(11-15)12-20(19(21)14-22-2)13-17-9-4-5-10-18(17)23-3/h4-11H,12-14H2,1-3H3
• InChIKey: QKHPNWNCOWSYCF-UHFFFAOYSA-N

名称和登记号

名称

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

理论计算性质

JChem

• 极化性: 35.30763 Å^3
• 极化表面积: 38.77 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true
• Acid pKa: 19.748083
• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 3.0476387
• LogD (pH = 7.4): 3.0476387
• Log P: 3.0476387
• 摩尔折射率: 91.4423 cm^3

Provided by Chembridge

• 极化表面积: 38.77 Å^2
• 可自由旋转的化学键: 7
• 质子受体: 3
• 质子供体: 0
• Log P: 3.15
• LOG S: -4.17