N-[2-(1H-indol-1-yl)ethyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)propanamide

• ChemBase编号: 742659
• 分子式: C18H23N3O2
• 平均质量: 313.39412
• 单一同位素质量: 313.17902699
• SMILES: N1(C(C(=O)N(CCn2ccc3c2cccc3)C)C)C(=O)CCC1
• Canonical SMILES: O=C(C(N1CCCC1=O)C)N(CCn1ccc2c1cccc2)C
• InChI: InChI=1S/C18H23N3O2/c1-14(21-10-5-8-17(21)22)18(23)19(2)12-13-20-11-9-15-6-3-4-7-16(15)20/h3-4,6-7,9,11,14H,5,8,10,12-13H2,1-2H3
• InChIKey: NVLPWQUPSQRMGD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[2-(1H-indol-1-yl)ethyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)propanamide
• IUPAC传统名: N-[2-(indol-1-yl)ethyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)propanamide
• 别名: N-[2-(1H-indol-1-yl)ethyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)propanamide

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 1.4553827
• LogD (pH = 7.4): 1.4553828
• Log P: 1.4553828
• 摩尔折射率: 89.4209 cm^3
• 极化性: 35.635754 Å^3
• 极化表面积: 45.55 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 2
• 质子供体: 0
• Log P: 1.6
• LOG S: -2.85
• 极化表面积: 45.55 Å^2
• 可自由旋转的化学键: 5