N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-(2-methyl-1H-indol-1-yl)propanamide

• ChemBase编号: 480269
• 分子式: C19H24N4O2
• 平均质量: 340.41946
• 单一同位素质量: 340.18992603
• SMILES: n1(c(cc2c1cccc2)C)CCC(=O)N(Cc1nnc(o1)CC)CC
• Canonical SMILES: CCN(C(=O)CCn1c(C)cc2c1cccc2)Cc1nnc(o1)CC
• InChI: InChI=1S/C19H24N4O2/c1-4-17-20-21-18(25-17)13-22(5-2)19(24)10-11-23-14(3)12-15-8-6-7-9-16(15)23/h6-9,12H,4-5,10-11,13H2,1-3H3
• InChIKey: LZWHAOFQOGXMOX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-(2-methyl-1H-indol-1-yl)propanamide
• IUPAC传统名: N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-(2-methylindol-1-yl)propanamide
• 别名: N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-(2-methyl-1H-indol-1-yl)propanamide

理论计算性质

JChem

• 可自由旋转的化学键: 7
• 里宾斯基五规则: true
• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 1.8101386
• LogD (pH = 7.4): 1.8101386
• Log P: 1.8101386
• 摩尔折射率: 98.2719 cm^3
• 极化性: 37.85077 Å^3
• 极化表面积: 64.16 Å^2

Provided by Chembridge

• 可自由旋转的化学键: 7
• 质子受体: 4
• 质子供体: 0
• Log P: 1.94
• LOG S: -3.34
• 极化表面积: 64.16 Å^2