1-ethyl-N-[2-(4-methoxyphenyl)ethyl]-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide

• ChemBase编号: 602284
• 分子式: C19H24N2O3
• 平均质量: 328.40546
• 单一同位素质量: 328.17869264
• SMILES: c1(c(=O)n(c(cc1C)C)CC)C(=O)NCCc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CCNC(=O)c1c(C)cc(n(c1=O)CC)C
• InChI: InChI=1S/C19H24N2O3/c1-5-21-14(3)12-13(2)17(19(21)23)18(22)20-11-10-15-6-8-16(24-4)9-7-15/h6-9,12H,5,10-11H2,1-4H3,(H,20,22)
• InChIKey: GTXTZIWAIRPVAP-UHFFFAOYSA-N

名称和登记号

名称

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

理论计算性质

JChem

• Acid pKa: 15.31616
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 1.9022193
• LogD (pH = 7.4): 1.9022195
• Log P: 1.9022195
• 摩尔折射率: 96.4157 cm^3
• 极化性: 36.14763 Å^3
• 极化表面积: 58.64 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: 1
• Log P: 2.28
• LOG S: -3.54
• 极化表面积: 60.33 Å^2
• 可自由旋转的化学键: 6