N-cyclopentyl-3-[(4S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide

• ChemBase编号: 218228
• 分子式: C21H26N4O3
• 平均质量: 382.45614
• 单一同位素质量: 382.20049071
• SMILES: N1(C(=O)N[C@H](C1=O)CCC(=O)NC1CCCC1)CCc1c[nH]c2c1cccc2
• Canonical SMILES: O=C(NC1CCCC1)CC[C@@H]1NC(=O)N(C1=O)CCc1c[nH]c2c1cccc2
• InChI: InChI=1S/C21H26N4O3/c26-19(23-15-5-1-2-6-15)10-9-18-20(27)25(21(28)24-18)12-11-14-13-22-17-8-4-3-7-16(14)17/h3-4,7-8,13,15,18,22H,1-2,5-6,9-12H2,(H,23,26)(H,24,28)/t18-/m0/s1
• InChIKey: ZSWRAUYXPNQTLD-SFHVURJKSA-N

名称和登记号

名称

• IUPAC标准名: N-cyclopentyl-3-[(4S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide
• IUPAC传统名: N-cyclopentyl-3-[(4S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide

登记号

• PubChem SID: 164274138
• PubChem CID: 16408203

理论计算性质

• Acid pKa: 12.117331
• 质子受体: 3
• 质子供体: 3
• LogD (pH = 5.5): 1.8723987
• LogD (pH = 7.4): 1.8723925
• Log P: 1.8724008
• 摩尔折射率: 104.8133 cm^3
• 极化性: 41.63591 Å^3
• 极化表面积: 94.3 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