N-(furan-2-ylmethyl)-N-[3-(4-methylphenyl)-3-[4-(propan-2-yloxy)phenyl]propyl]acetamide

• ChemBase编号: 190817
• 分子式: C26H31NO3
• 平均质量: 405.52924
• 单一同位素质量: 405.23039386
• SMILES: N(C(=O)C)(Cc1occc1)CCC(c1ccc(cc1)C)c1ccc(OC(C)C)cc1
• Canonical SMILES: Cc1ccc(cc1)C(c1ccc(cc1)OC(C)C)CCN(C(=O)C)Cc1ccco1
• InChI: InChI=1S/C26H31NO3/c1-19(2)30-24-13-11-23(12-14-24)26(22-9-7-20(3)8-10-22)15-16-27(21(4)28)18-25-6-5-17-29-25/h5-14,17,19,26H,15-16,18H2,1-4H3
• InChIKey: LIVPLQUWCKYLML-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(furan-2-ylmethyl)-N-[3-(4-methylphenyl)-3-[4-(propan-2-yloxy)phenyl]propyl]acetamide
• IUPAC传统名: N-(furan-2-ylmethyl)-N-[3-(4-isopropoxyphenyl)-3-(4-methylphenyl)propyl]acetamide

登记号

• PubChem SID: 164246727
• PubChem CID: 3499470

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 5.2094426
• LogD (pH = 7.4): 5.2094426
• Log P: 5.2094426
• 摩尔折射率: 120.5468 cm^3
• 极化性: 46.60874 Å^3
• 极化表面积: 42.68 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

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