2-(3-methoxy-2-oxo-1,2-dihydropyridin-1-yl)-N-[1-(4-propylphenyl)ethyl]acetamide

• ChemBase编号: 628308
• 分子式: C19H24N2O3
• 平均质量: 328.40546
• 单一同位素质量: 328.17869264
• SMILES: n1(c(=O)c(ccc1)OC)CC(=O)NC(c1ccc(cc1)CCC)C
• Canonical SMILES: CCCc1ccc(cc1)C(NC(=O)Cn1cccc(c1=O)OC)C
• InChI: InChI=1S/C19H24N2O3/c1-4-6-15-8-10-16(11-9-15)14(2)20-18(22)13-21-12-5-7-17(24-3)19(21)23/h5,7-12,14H,4,6,13H2,1-3H3,(H,20,22)
• InChIKey: LJTMOFUTXATXKP-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-(4-propylphenyl)ethyl]acetamide
• IUPAC传统名: 2-(3-methoxy-2-oxopyridin-1-yl)-N-[1-(4-propylphenyl)ethyl]acetamide
• 别名: 2-(3-methoxy-2-oxopyridin-1(2H)-yl)-N-[1-(4-propylphenyl)ethyl]acetamide

理论计算性质

Provided by Chembridge

• 质子受体: 3
• 质子供体: 1
• Log P: 2.62
• LOG S: -3.83
• 极化表面积: 60.33 Å^2
• 可自由旋转的化学键: 7

JChem

• 质子供体: 1
• LogD (pH = 5.5): 2.5448647
• LogD (pH = 7.4): 2.5448647
• Log P: 2.5448647
• 摩尔折射率: 95.7387 cm^3
• 极化性: 36.083984 Å^3
• 极化表面积: 58.64 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true
• Acid pKa: 14.441757
• 质子受体: 3