N-ethyl-2-(3-methoxy-2-oxo-1,2-dihydropyridin-1-yl)-N-(3-phenylpropyl)acetamide

• ChemBase编号: 535615
• 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)N(CCCc1ccccc1)CC
• Canonical SMILES: CCN(C(=O)Cn1cccc(c1=O)OC)CCCc1ccccc1
• InChI: InChI=1S/C19H24N2O3/c1-3-20(13-7-11-16-9-5-4-6-10-16)18(22)15-21-14-8-12-17(24-2)19(21)23/h4-6,8-10,12,14H,3,7,11,13,15H2,1-2H3
• InChIKey: LWJLAFKKMDKCJE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-ethyl-2-(3-methoxy-2-oxo-1,2-dihydropyridin-1-yl)-N-(3-phenylpropyl)acetamide
• IUPAC传统名: N-ethyl-2-(3-methoxy-2-oxopyridin-1-yl)-N-(3-phenylpropyl)acetamide
• 别名: N-ethyl-2-(3-methoxy-2-oxopyridin-1(2H)-yl)-N-(3-phenylpropyl)acetamide

理论计算性质

JChem

• Acid pKa: 16.29446
• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 2.0394447
• LogD (pH = 7.4): 2.0394447
• Log P: 2.0394447
• 摩尔折射率: 96.078 cm^3
• 极化性: 36.164787 Å^3
• 极化表面积: 49.85 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 2.32
• LOG S: -3.58
• 极化表面积: 51.54 Å^2
• 可自由旋转的化学键: 8