N-cyclopropyl-2-(3-methoxy-2-oxo-1,2-dihydropyridin-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide

• ChemBase编号: 427696
• 分子式: C19H22N2O4
• 平均质量: 342.38898
• 单一同位素质量: 342.15795719
• SMILES: n1(c(=O)c(ccc1)OC)CC(=O)N(Cc1c(OC)cccc1)C1CC1
• Canonical SMILES: COc1ccccc1CN(C(=O)Cn1cccc(c1=O)OC)C1CC1
• InChI: InChI=1S/C19H22N2O4/c1-24-16-7-4-3-6-14(16)12-21(15-9-10-15)18(22)13-20-11-5-8-17(25-2)19(20)23/h3-8,11,15H,9-10,12-13H2,1-2H3
• InChIKey: QGUYGWUKYJFGLL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-cyclopropyl-2-(3-methoxy-2-oxo-1,2-dihydropyridin-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
• IUPAC传统名: N-cyclopropyl-2-(3-methoxy-2-oxopyridin-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
• 别名: N-cyclopropyl-N-(2-methoxybenzyl)-2-(3-methoxy-2-oxopyridin-1(2H)-yl)acetamide

理论计算性质

JChem

• Acid pKa: 16.210241
• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 1.2573003
• LogD (pH = 7.4): 1.2573003
• Log P: 1.2573003
• 摩尔折射率: 95.6478 cm^3
• 极化性: 36.124287 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: 1.32
• LOG S: -2.82
• 极化表面积: 60.77 Å^2
• 可自由旋转的化学键: 7