2-(5-methoxy-4,7-dimethyl-2-oxo-2H-chromen-3-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide

• ChemBase编号: 213942
• 分子式: C23H25NO5
• 平均质量: 395.4483
• 单一同位素质量: 395.17327291
• SMILES: c1(c(c(=O)oc2c1c(cc(c2)C)OC)CC(=O)NCCc1ccc(cc1)OC)C
• Canonical SMILES: COc1cc(C)cc2c1c(C)c(c(=O)o2)CC(=O)NCCc1ccc(cc1)OC
• InChI: InChI=1S/C23H25NO5/c1-14-11-19(28-4)22-15(2)18(23(26)29-20(22)12-14)13-21(25)24-10-9-16-5-7-17(27-3)8-6-16/h5-8,11-12H,9-10,13H2,1-4H3,(H,24,25)
• InChIKey: MUKBJTWDYFPNBM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(5-methoxy-4,7-dimethyl-2-oxo-2H-chromen-3-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
• IUPAC传统名: 2-(5-methoxy-4,7-dimethyl-2-oxochromen-3-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide

登记号

• PubChem SID: 164269852
• PubChem CID: 4869185

理论计算性质

• Acid pKa: 14.6893215
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 3.2305782
• LogD (pH = 7.4): 3.2305782
• Log P: 3.2305782
• 摩尔折射率: 110.5082 cm^3
• 极化性: 42.51125 Å^3
• 极化表面积: 73.86 Å^2
• 可自由旋转的化学键: 7
• 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