2-cyclohexyl-N-ethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide

• ChemBase编号: 701390
• 分子式: C16H27N3O2
• 平均质量: 293.40448
• 单一同位素质量: 293.21032712
• SMILES: n1c(noc1CCC)CN(C(=O)CC1CCCCC1)CC
• Canonical SMILES: CCCc1onc(n1)CN(C(=O)CC1CCCCC1)CC
• InChI: InChI=1S/C16H27N3O2/c1-3-8-15-17-14(18-21-15)12-19(4-2)16(20)11-13-9-6-5-7-10-13/h13H,3-12H2,1-2H3
• InChIKey: SAIMQYCXINDIBM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-cyclohexyl-N-ethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
• IUPAC传统名: 2-cyclohexyl-N-ethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
• 别名: 2-cyclohexyl-N-ethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 3.3034961
• LogD (pH = 7.4): 3.3034964
• Log P: 3.3034964
• 摩尔折射率: 83.1932 cm^3
• 极化性: 31.63059 Å^3
• 极化表面积: 59.23 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 2.82
• LOG S: -3.75
• 极化表面积: 59.23 Å^2
• 可自由旋转的化学键: 7