N,N-bis({2-[N-(3,7-dimethyloct-6-en-1-yl)acetamido]ethyl})acetamide

• ChemBase编号: 188015
• 分子式: C30H55N3O3
• 平均质量: 505.776
• 单一同位素质量: 505.42434264
• SMILES: C(=O)(N(CCN(C(=O)C)CCN(C(=O)C)CCC(CCC=C(C)C)C)CCC(CCC=C(C)C)C)C
• Canonical SMILES: CC(CCC=C(C)C)CCN(C(=O)C)CCN(C(=O)C)CCN(C(=O)C)CCC(CCC=C(C)C)C
• InChI: InChI=1S/C30H55N3O3/c1-24(2)12-10-14-26(5)16-18-31(28(7)34)20-22-33(30(9)36)23-21-32(29(8)35)19-17-27(6)15-11-13-25(3)4/h12-13,26-27H,10-11,14-23H2,1-9H3
• InChIKey: MITIMAMGYOHSHS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,N-bis({2-[N-(3,7-dimethyloct-6-en-1-yl)acetamido]ethyl})acetamide
• IUPAC传统名: N,N-bis({2-[N-(3,7-dimethyloct-6-en-1-yl)acetamido]ethyl})acetamide

登记号

• PubChem SID: 164243925
• PubChem CID: 3814332

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 4.4494047
• LogD (pH = 7.4): 4.449406
• Log P: 4.449406
• 摩尔折射率: 153.2895 cm^3
• 极化性: 59.1303 Å^3
• 极化表面积: 60.93 Å^2
• 可自由旋转的化学键: 18
• 里宾斯基五规则: false

分子性质

产品相关信息

• 分类: Rare Derivatives of Natural Compounds