N-[2-(1H-indol-3-yl)ethyl]-2-{1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl}acetamide

• ChemBase编号: 224618
• 分子式: C21H26N4O3
• 平均质量: 382.45614
• 单一同位素质量: 382.20049071
• SMILES: N1(C(=O)N(C2(C1=O)CCCCC2)C)CC(=O)NCCc1c[nH]c2c1cccc2
• Canonical SMILES: O=C(CN1C(=O)N(C2(C1=O)CCCCC2)C)NCCc1c[nH]c2c1cccc2
• InChI: InChI=1S/C21H26N4O3/c1-24-20(28)25(19(27)21(24)10-5-2-6-11-21)14-18(26)22-12-9-15-13-23-17-8-4-3-7-16(15)17/h3-4,7-8,13,23H,2,5-6,9-12,14H2,1H3,(H,22,26)
• InChIKey: TULIRIAQOZSACD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[2-(1H-indol-3-yl)ethyl]-2-{1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl}acetamide
• IUPAC传统名: N-[2-(1H-indol-3-yl)ethyl]-2-{1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl}acetamide

登记号

• PubChem SID: 164280528
• PubChem CID: 8496460

理论计算性质

• Acid pKa: 15.409121
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): 2.0311625
• LogD (pH = 7.4): 2.0311625
• Log P: 2.0311625
• 摩尔折射率: 105.1511 cm^3
• 极化性: 41.63591 Å^3
• 极化表面积: 85.51 Å^2
• 可自由旋转的化学键: 5
• 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