N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(6-methyl-2-oxo-1,2-dihydropyridin-1-yl)propanamide

• ChemBase编号: 441317
• 分子式: C19H24N2O3
• 平均质量: 328.40546
• 单一同位素质量: 328.17869264
• SMILES: n1(c(=O)cccc1C)CCC(=O)N(C(c1c(OC)cccc1)C)C
• Canonical SMILES: COc1ccccc1C(N(C(=O)CCn1c(C)cccc1=O)C)C
• InChI: InChI=1S/C19H24N2O3/c1-14-8-7-11-19(23)21(14)13-12-18(22)20(3)15(2)16-9-5-6-10-17(16)24-4/h5-11,15H,12-13H2,1-4H3
• InChIKey: QEFIQZOZLQPXQU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(6-methyl-2-oxo-1,2-dihydropyridin-1-yl)propanamide
• IUPAC传统名: N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(2-methyl-6-oxopyridin-1-yl)propanamide
• 别名: N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(6-methyl-2-oxopyridin-1(2H)-yl)propanamide

理论计算性质

Provided by Chembridge

• 可自由旋转的化学键: 6
• 质子受体: 3
• 质子供体: 0
• Log P: 1.78
• LOG S: -3.12
• 极化表面积: 51.54 Å^2

JChem

• 里宾斯基五规则: true
• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 1.781393
• LogD (pH = 7.4): 1.7813932
• Log P: 1.7813932
• 摩尔折射率: 96.6553 cm^3
• 极化性: 36.1454 Å^3
• 极化表面积: 49.85 Å^2
• 可自由旋转的化学键: 6