6-ethyl-N-[1-(2-methoxyphenyl)propan-2-yl]-N,1,5-trimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide

• ChemBase编号: 782028
• 分子式: C21H28N2O3
• 平均质量: 356.45862
• 单一同位素质量: 356.20999277
• SMILES: c1(c(=O)n(c(c(c1)C)CC)C)C(=O)N(C(Cc1c(OC)cccc1)C)C
• Canonical SMILES: CCc1c(C)cc(c(=O)n1C)C(=O)N(C(Cc1ccccc1OC)C)C
• InChI: InChI=1S/C21H28N2O3/c1-7-18-14(2)12-17(21(25)23(18)5)20(24)22(4)15(3)13-16-10-8-9-11-19(16)26-6/h8-12,15H,7,13H2,1-6H3
• InChIKey: GBAZXZJHNBQTSL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 6-ethyl-N-[1-(2-methoxyphenyl)propan-2-yl]-N,1,5-trimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide
• IUPAC传统名: 6-ethyl-N-[1-(2-methoxyphenyl)propan-2-yl]-N,1,5-trimethyl-2-oxopyridine-3-carboxamide
• 别名: 6-ethyl-N-[2-(2-methoxyphenyl)-1-methylethyl]-N,1,5-trimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 2.7081845
• LogD (pH = 7.4): 2.708185
• Log P: 2.708185
• 摩尔折射率: 105.5066 cm^3
• 极化性: 39.83089 Å^3
• 极化表面积: 49.85 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: 3
• 质子供体: 0
• Log P: 2.84
• LOG S: -4.22
• 极化表面积: 51.54 Å^2
• 可自由旋转的化学键: 6