N-[2-(4-ethylmorpholin-2-yl)ethyl]-2-(2-methyl-1H-indol-3-yl)acetamide

• ChemBase编号: 847769
• 分子式: C19H27N3O2
• 平均质量: 329.43658
• 单一同位素质量: 329.21032712
• SMILES: c1(c([nH]c2c1cccc2)C)CC(=O)NCCC1OCCN(C1)CC
• Canonical SMILES: CCN1CCOC(C1)CCNC(=O)Cc1c(C)[nH]c2c1cccc2
• InChI: InChI=1S/C19H27N3O2/c1-3-22-10-11-24-15(13-22)8-9-20-19(23)12-17-14(2)21-18-7-5-4-6-16(17)18/h4-7,15,21H,3,8-13H2,1-2H3,(H,20,23)
• InChIKey: NYNHLRDURBAIMV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[2-(4-ethylmorpholin-2-yl)ethyl]-2-(2-methyl-1H-indol-3-yl)acetamide
• IUPAC传统名: N-[2-(4-ethylmorpholin-2-yl)ethyl]-2-(2-methyl-1H-indol-3-yl)acetamide
• 别名: N-[2-(4-ethylmorpholin-2-yl)ethyl]-2-(2-methyl-1H-indol-3-yl)acetamide

理论计算性质

JChem

• Acid pKa: 15.849429
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): -0.35562778
• LogD (pH = 7.4): 1.2675148
• Log P: 1.6027297
• 摩尔折射率: 96.6985 cm^3
• 极化性: 38.41859 Å^3
• 极化表面积: 57.36 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 2
• Log P: 1.33
• LOG S: -2.74
• 极化表面积: 57.36 Å^2
• 可自由旋转的化学键: 6