N-{2-[2-ethyl-2-methyl-4-(propan-2-yl)oxan-4-yl]ethyl}-N-(furan-2-ylmethyl)acetamide

• ChemBase编号: 203098
• 分子式: C20H33NO3
• 平均质量: 335.48092
• 单一同位素质量: 335.24604392
• SMILES: C1(CC(OCC1)(CC)C)(CCN(C(=O)C)Cc1occc1)C(C)C
• Canonical SMILES: CCC1(C)OCCC(C1)(CCN(C(=O)C)Cc1ccco1)C(C)C
• InChI: InChI=1S/C20H33NO3/c1-6-19(5)15-20(16(2)3,10-13-24-19)9-11-21(17(4)22)14-18-8-7-12-23-18/h7-8,12,16H,6,9-11,13-15H2,1-5H3
• InChIKey: WECPRHUTBOEXOM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-{2-[2-ethyl-2-methyl-4-(propan-2-yl)oxan-4-yl]ethyl}-N-(furan-2-ylmethyl)acetamide
• IUPAC传统名: N-[2-(2-ethyl-4-isopropyl-2-methyloxan-4-yl)ethyl]-N-(furan-2-ylmethyl)acetamide

登记号

• PubChem SID: 164259008
• PubChem CID: 4561666

理论计算性质

• 极化表面积: 42.68 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true
• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 3.241494
• LogD (pH = 7.4): 3.2414944
• Log P: 3.2414944
• 摩尔折射率: 96.44 cm^3
• 极化性: 37.824768 Å^3

分子性质

产品相关信息

• 简要说明: Stereoisomers
• 分类: Derivatives & analogs of Natural Compounds