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

• ChemBase编号: 430665
• 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(Cc2ccc(cc2)OC)C)CC)cn(c(=O)cc1)C
• Canonical SMILES: CCN(C(=O)c1ccc(=O)n(c1)C)C(Cc1ccc(cc1)OC)C
• InChI: InChI=1S/C19H24N2O3/c1-5-21(19(23)16-8-11-18(22)20(3)13-16)14(2)12-15-6-9-17(24-4)10-7-15/h6-11,13-14H,5,12H2,1-4H3
• InChIKey: OWCNXFLEIDTLTD-UHFFFAOYSA-N

名称和登记号

名称

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

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 1.944846
• LogD (pH = 7.4): 1.9448473
• Log P: 1.9448473
• 摩尔折射率: 95.555 cm^3
• 极化性: 36.147587 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: 1.57
• LOG S: -2.94
• 极化表面积: 51.54 Å^2
• 可自由旋转的化学键: 6