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

• ChemBase编号: 180895
• 分子式: C15H18N2O2
• 平均质量: 258.31562
• 单一同位素质量: 258.13682783
• SMILES: [nH]1cc(c2c1ccc(c2)OC)CCNC(=O)C1CC1
• Canonical SMILES: COc1ccc2c(c1)c(CCNC(=O)C1CC1)c[nH]2
• InChI: InChI=1S/C15H18N2O2/c1-19-12-4-5-14-13(8-12)11(9-17-14)6-7-16-15(18)10-2-3-10/h4-5,8-10,17H,2-3,6-7H2,1H3,(H,16,18)
• InChIKey: HSOHROOUHRUSJR-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164236805
• PubChem CID: 2877

理论计算性质

• Acid pKa: 15.690232
• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): 1.9274088
• LogD (pH = 7.4): 1.927409
• Log P: 1.927409
• 摩尔折射率: 73.6791 cm^3
• 极化性: 29.579802 Å^3
• 极化表面积: 54.12 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

产品相关信息

• 分类: Rare Derivatives of Natural Compounds