N-[(3-ethoxy-4-methoxyphenyl)methyl]-N,1,4,6-tetramethyl-2-oxo-1,2-dihydropyridine-3-carboxamide

• ChemBase编号: 598793
• 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(cc1C)C)C)C(=O)N(Cc1cc(c(cc1)OC)OCC)C
• Canonical SMILES: CCOc1cc(ccc1OC)CN(C(=O)c1c(C)cc(n(c1=O)C)C)C
• InChI: InChI=1S/C20H26N2O4/c1-7-26-17-11-15(8-9-16(17)25-6)12-21(4)19(23)18-13(2)10-14(3)22(5)20(18)24/h8-11H,7,12H2,1-6H3
• InChIKey: UDHUJEJFBISOMN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[(3-ethoxy-4-methoxyphenyl)methyl]-N,1,4,6-tetramethyl-2-oxo-1,2-dihydropyridine-3-carboxamide
• IUPAC传统名: N-[(3-ethoxy-4-methoxyphenyl)methyl]-N,1,4,6-tetramethyl-2-oxopyridine-3-carboxamide
• 别名: N-(3-ethoxy-4-methoxybenzyl)-N,1,4,6-tetramethyl-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): 1.6795628
• LogD (pH = 7.4): 1.679563
• Log P: 1.679563
• 摩尔折射率: 103.0206 cm^3
• 极化性: 38.670605 Å^3
• 极化表面积: 59.08 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: 4
• 质子供体: 0
• Log P: 1.97
• LOG S: -3.5
• 极化表面积: 60.77 Å^2
• 可自由旋转的化学键: 6