N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(1,6-dimethyl-4-oxo-1,4-dihydropyridin-3-yl)oxy]acetamide

• ChemBase编号: 226426
• 分子式: C19H24N2O5
• 平均质量: 360.40426
• 单一同位素质量: 360.16852188
• SMILES: c1(cn(c(cc1=O)C)C)OCC(=O)NCCc1cc(c(cc1)OC)OC
• Canonical SMILES: COc1cc(CCNC(=O)COc2cn(C)c(cc2=O)C)ccc1OC
• InChI: InChI=1S/C19H24N2O5/c1-13-9-15(22)18(11-21(13)2)26-12-19(23)20-8-7-14-5-6-16(24-3)17(10-14)25-4/h5-6,9-11H,7-8,12H2,1-4H3,(H,20,23)
• InChIKey: FDBSVZCBBFWSRV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(1,6-dimethyl-4-oxo-1,4-dihydropyridin-3-yl)oxy]acetamide
• IUPAC传统名: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(1,6-dimethyl-4-oxopyridin-3-yl)oxy]acetamide

登记号

• PubChem SID: 164282336
• PubChem CID: 71692368

理论计算性质

• Acid pKa: 14.978243
• 质子受体: 6
• 质子供体: 1
• LogD (pH = 5.5): 1.3173834
• LogD (pH = 7.4): 1.3173839
• Log P: 1.3173839
• 摩尔折射率: 100.5463 cm^3
• 极化性: 37.54654 Å^3
• 极化表面积: 77.1 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds