2-(1H-indol-1-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide

• ChemBase编号: 225756
• 分子式: C21H21N3O2
• 平均质量: 347.41034
• 单一同位素质量: 347.16337693
• SMILES: n1(ccc2c1cccc2)CC(=O)NCCc1c2c([nH]c1)ccc(c2)OC
• Canonical SMILES: COc1ccc2c(c1)c(CCNC(=O)Cn1ccc3c1cccc3)c[nH]2
• InChI: InChI=1S/C21H21N3O2/c1-26-17-6-7-19-18(12-17)16(13-23-19)8-10-22-21(25)14-24-11-9-15-4-2-3-5-20(15)24/h2-7,9,11-13,23H,8,10,14H2,1H3,(H,22,25)
• InChIKey: FWCYVHRALLHBTR-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164281666
• PubChem CID: 71753529

理论计算性质

• Acid pKa: 15.557793
• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): 3.1446257
• LogD (pH = 7.4): 3.1446257
• Log P: 3.1446257
• 摩尔折射率: 101.762 cm^3
• 极化性: 41.485256 Å^3
• 极化表面积: 59.05 Å^2
• 可自由旋转的化学键: 6
• 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