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

• ChemBase编号: 359998
• 分子式: C23H24N2O2
• 平均质量: 360.44886
• 单一同位素质量: 360.18377802
• SMILES: C(=O)(N(Cc1c(OC)cccc1)Cc1cnccc1)Cc1c(C)cccc1
• Canonical SMILES: COc1ccccc1CN(C(=O)Cc1ccccc1C)Cc1cccnc1
• InChI: InChI=1S/C23H24N2O2/c1-18-8-3-4-10-20(18)14-23(26)25(16-19-9-7-13-24-15-19)17-21-11-5-6-12-22(21)27-2/h3-13,15H,14,16-17H2,1-2H3
• InChIKey: ZRQWOGXLELTTRA-UHFFFAOYSA-N

名称和登记号

名称

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

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 3.7661655
• LogD (pH = 7.4): 3.837418
• Log P: 3.8384275
• 摩尔折射率: 107.5539 cm^3
• 极化性: 41.485336 Å^3
• 极化表面积: 42.43 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 3.96
• LOG S: -3.91
• 极化表面积: 42.43 Å^2
• 可自由旋转的化学键: 7