N-[(4-ethoxyphenyl)methyl]-N-(2-methoxyethyl)-1,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide

• ChemBase编号: 670685
• 分子式: C20H26N2O4
• 平均质量: 358.43144
• 单一同位素质量: 358.18925732
• SMILES: c1(c(=O)n(c(cc1)C)C)C(=O)N(Cc1ccc(cc1)OCC)CCOC
• Canonical SMILES: COCCN(C(=O)c1ccc(n(c1=O)C)C)Cc1ccc(cc1)OCC
• InChI: InChI=1S/C20H26N2O4/c1-5-26-17-9-7-16(8-10-17)14-22(12-13-25-4)20(24)18-11-6-15(2)21(3)19(18)23/h6-11H,5,12-14H2,1-4H3
• InChIKey: OHZPHVYSBIBURQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[(4-ethoxyphenyl)methyl]-N-(2-methoxyethyl)-1,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide
• IUPAC传统名: N-[(4-ethoxyphenyl)methyl]-N-(2-methoxyethyl)-1,6-dimethyl-2-oxopyridine-3-carboxamide
• 别名: N-(4-ethoxybenzyl)-N-(2-methoxyethyl)-1,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 1.5468973
• LogD (pH = 7.4): 1.5468975
• Log P: 1.5468975
• 摩尔折射率: 103.3189 cm^3
• 极化性: 38.68547 Å^3
• 极化表面积: 59.08 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: 1.57
• LOG S: -3.15
• 极化表面积: 60.77 Å^2
• 可自由旋转的化学键: 8