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

• ChemBase编号: 194383
• 分子式: C24H33NO3
• 平均质量: 383.52372
• 单一同位素质量: 383.24604392
• SMILES: C1(CC(OCC1)C(C)C)(c1ccc(cc1)C)CCN(C(=O)C)Cc1occc1
• Canonical SMILES: CC(C1OCCC(C1)(CCN(C(=O)C)Cc1ccco1)c1ccc(cc1)C)C
• InChI: InChI=1S/C24H33NO3/c1-18(2)23-16-24(12-15-28-23,21-9-7-19(3)8-10-21)11-13-25(20(4)26)17-22-6-5-14-27-22/h5-10,14,18,23H,11-13,15-17H2,1-4H3
• InChIKey: QZAKTTPJCPDBEO-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164250293
• PubChem CID: 2965337

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 4.2415276
• LogD (pH = 7.4): 4.241528
• Log P: 4.241528
• 摩尔折射率: 112.26 cm^3
• 极化性: 43.660122 Å^3
• 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

分子性质

产品相关信息

• 简要说明: 2 Diastereomers
• 分类: Derivatives & analogs of Natural Compounds