3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide

• ChemBase编号: 227171
• 分子式: C22H24N2O3
• 平均质量: 364.43756
• 单一同位素质量: 364.17869264
• SMILES: [nH]1cc(c2c1ccc(c2)OC)CCNC(=O)CCc1cc2c(OCC2)cc1
• Canonical SMILES: COc1ccc2c(c1)c(CCNC(=O)CCc1ccc3c(c1)CCO3)c[nH]2
• InChI: InChI=1S/C22H24N2O3/c1-26-18-4-5-20-19(13-18)17(14-24-20)8-10-23-22(25)7-3-15-2-6-21-16(12-15)9-11-27-21/h2,4-6,12-14,24H,3,7-11H2,1H3,(H,23,25)
• InChIKey: ZBPRMNCBPZUFCW-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164283081
• PubChem CID: 71754303

理论计算性质

• Acid pKa: 15.61292
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): 3.3087382
• LogD (pH = 7.4): 3.3087385
• Log P: 3.3087385
• 摩尔折射率: 105.3756 cm^3
• 极化性: 41.617107 Å^3
• 极化表面积: 63.35 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