N-benzyl-N-{2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl}propanamide

• ChemBase编号: 203010
• 分子式: C24H39NO2
• 平均质量: 373.57196
• 单一同位素质量: 373.29807949
• SMILES: N(C(=O)CC)(Cc1ccccc1)CCC1(CC(OCC1)(C)C)CCC(C)C
• Canonical SMILES: CCC(=O)N(Cc1ccccc1)CCC1(CCOC(C1)(C)C)CCC(C)C
• InChI: InChI=1S/C24H39NO2/c1-6-22(26)25(18-21-10-8-7-9-11-21)16-14-24(13-12-20(2)3)15-17-27-23(4,5)19-24/h7-11,20H,6,12-19H2,1-5H3
• InChIKey: YAUWJCHOOUMONV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-benzyl-N-{2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl}propanamide
• IUPAC传统名: N-benzyl-N-{2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl}propanamide

登记号

• PubChem SID: 164258920
• PubChem CID: 3756461

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 5.248398
• LogD (pH = 7.4): 5.2483983
• Log P: 5.2483983
• 摩尔折射率: 113.354 cm^3
• 极化性: 44.669388 Å^3
• 极化表面积: 29.54 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: false

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds