2-(3-methoxy-2-oxo-1,2-dihydropyridin-1-yl)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide

• ChemBase编号: 583258
• 分子式: C19H24N2O4
• 平均质量: 344.40486
• 单一同位素质量: 344.17360726
• SMILES: n1(c(=O)c(ccc1)OC)CC(=O)N(C(Cc1c(OC)cccc1)C)C
• Canonical SMILES: COc1ccccc1CC(N(C(=O)Cn1cccc(c1=O)OC)C)C
• InChI: InChI=1S/C19H24N2O4/c1-14(12-15-8-5-6-9-16(15)24-3)20(2)18(22)13-21-11-7-10-17(25-4)19(21)23/h5-11,14H,12-13H2,1-4H3
• InChIKey: UJEIBLTXXGMZAN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(3-methoxy-2-oxo-1,2-dihydropyridin-1-yl)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide
• IUPAC传统名: 2-(3-methoxy-2-oxopyridin-1-yl)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide
• 别名: 2-(3-methoxy-2-oxopyridin-1(2H)-yl)-N-[2-(2-methoxyphenyl)-1-methylethyl]-N-methylacetamide

理论计算性质

JChem

• Acid pKa: 16.29133
• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 1.496972
• LogD (pH = 7.4): 1.496972
• Log P: 1.496972
• 摩尔折射率: 97.6104 cm^3
• 极化性: 36.849087 Å^3
• 极化表面积: 59.08 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 1.62
• LOG S: -3.1
• 极化表面积: 60.77 Å^2
• 可自由旋转的化学键: 7