2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

• ChemBase编号: 191290
• 分子式: C20H25NO5
• 平均质量: 359.4162
• 单一同位素质量: 359.17327291
• SMILES: c1(c(ccc(c1)CC(=O)NCCc1cc(c(cc1)OC)OC)OC)OC
• Canonical SMILES: COc1cc(CCNC(=O)Cc2ccc(c(c2)OC)OC)ccc1OC
• InChI: InChI=1S/C20H25NO5/c1-23-16-7-5-14(11-18(16)25-3)9-10-21-20(22)13-15-6-8-17(24-2)19(12-15)26-4/h5-8,11-12H,9-10,13H2,1-4H3,(H,21,22)
• InChIKey: KDIKNBJFJOYFNY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
• IUPAC传统名: 2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

登记号

• PubChem SID: 164247200
• PubChem CID: 67318

理论计算性质

• Acid pKa: 15.209925
• 质子受体: 5
• 质子供体: 1
• LogD (pH = 5.5): 2.4101768
• LogD (pH = 7.4): 2.4101768
• Log P: 2.4101768
• 摩尔折射率: 99.3049 cm^3
• 极化性: 38.572548 Å^3
• 极化表面积: 66.02 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: true

分子性质

产品相关信息

• 分类: Genuine Natural Compounds