N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(4-methoxyphenyl)propanamide

• ChemBase编号: 219359
• 分子式: C21H24N2O3
• 平均质量: 352.42686
• 单一同位素质量: 352.17869264
• SMILES: [nH]1cc(c2c1ccc(c2)OC)CCNC(=O)CCc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CCC(=O)NCCc1c[nH]c2c1cc(OC)cc2
• InChI: InChI=1S/C21H24N2O3/c1-25-17-6-3-15(4-7-17)5-10-21(24)22-12-11-16-14-23-20-9-8-18(26-2)13-19(16)20/h3-4,6-9,13-14,23H,5,10-12H2,1-2H3,(H,22,24)
• InChIKey: UHQOHEMXUHKIAO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(4-methoxyphenyl)propanamide
• IUPAC传统名: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(4-methoxyphenyl)propanamide

登记号

• PubChem SID: 164275269
• PubChem CID: 16409266

理论计算性质

• Acid pKa: 15.645121
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): 3.2688498
• LogD (pH = 7.4): 3.26885
• Log P: 3.26885
• 摩尔折射率: 102.066 cm^3
• 极化性: 40.587814 Å^3
• 极化表面积: 63.35 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