2-ethoxy-N-[(2-methoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide

• ChemBase编号: 684599
• 分子式: C23H24N2O3
• 平均质量: 376.44826
• 单一同位素质量: 376.17869264
• SMILES: C(=O)(N(Cc1c(OC)cccc1)Cc1cnccc1)c1c(OCC)cccc1
• Canonical SMILES: CCOc1ccccc1C(=O)N(Cc1ccccc1OC)Cc1cccnc1
• InChI: InChI=1S/C23H24N2O3/c1-3-28-22-13-7-5-11-20(22)23(26)25(16-18-9-8-14-24-15-18)17-19-10-4-6-12-21(19)27-2/h4-15H,3,16-17H2,1-2H3
• InChIKey: OIJDQCDTFNWIJG-UHFFFAOYSA-N

名称和登记号

名称

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

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 3.4717262
• LogD (pH = 7.4): 3.5429683
• Log P: 3.5439775
• 摩尔折射率: 109.6731 cm^3
• 极化性: 42.006176 Å^3
• 极化表面积: 51.66 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: 3.73
• LOG S: -3.83
• 极化表面积: 51.66 Å^2
• 可自由旋转的化学键: 8