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

• ChemBase编号: 219562
• 分子式: C23H30N4O4
• 平均质量: 426.5087
• 单一同位素质量: 426.22670546
• SMILES: N1(C(=O)N[C@H](C1=O)CCC(=O)NC1CCCCC1)CCc1c2c([nH]c1)ccc(c2)OC
• Canonical SMILES: COc1ccc2c(c1)c(CCN1C(=O)N[C@H](C1=O)CCC(=O)NC1CCCCC1)c[nH]2
• InChI: InChI=1S/C23H30N4O4/c1-31-17-7-8-19-18(13-17)15(14-24-19)11-12-27-22(29)20(26-23(27)30)9-10-21(28)25-16-5-3-2-4-6-16/h7-8,13-14,16,20,24H,2-6,9-12H2,1H3,(H,25,28)(H,26,30)/t20-/m0/s1
• InChIKey: ZZXYROFLWAJWAG-FQEVSTJZSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164275472
• PubChem CID: 16409461

理论计算性质

• Acid pKa: 11.881211
• 质子受体: 4
• 质子供体: 3
• LogD (pH = 5.5): 2.159296
• LogD (pH = 7.4): 2.1592839
• Log P: 2.1592982
• 摩尔折射率: 115.8775 cm^3
• 极化性: 45.99972 Å^3
• 极化表面积: 103.53 Å^2
• 可自由旋转的化学键: 8
• 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