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

• ChemBase编号: 219578
• 分子式: C23H32N4O4
• 平均质量: 428.52458
• 单一同位素质量: 428.24235552
• SMILES: N1(C(=O)N[C@H](C1=O)CCC(=O)NCCCCCC)CCc1c2c([nH]c1)ccc(c2)OC
• Canonical SMILES: CCCCCCNC(=O)CC[C@@H]1NC(=O)N(C1=O)CCc1c[nH]c2c1cc(OC)cc2
• InChI: InChI=1S/C23H32N4O4/c1-3-4-5-6-12-24-21(28)10-9-20-22(29)27(23(30)26-20)13-11-16-15-25-19-8-7-17(31-2)14-18(16)19/h7-8,14-15,20,25H,3-6,9-13H2,1-2H3,(H,24,28)(H,26,30)/t20-/m0/s1
• InChIKey: PEDHPXKGSZDQLM-FQEVSTJZSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164275488
• PubChem CID: 16409478

理论计算性质

• Acid pKa: 11.802542
• 质子受体: 4
• 质子供体: 3
• LogD (pH = 5.5): 2.5730631
• LogD (pH = 7.4): 2.573047
• Log P: 2.573064
• 摩尔折射率: 117.9389 cm^3
• 极化性: 46.725086 Å^3
• 极化表面积: 103.53 Å^2
• 可自由旋转的化学键: 12
• 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