N-(furan-2-ylmethyl)-N-{4-methyl-3-[4-(propan-2-yloxy)phenyl]pentyl}propanamide

• ChemBase编号: 194422
• 分子式: C23H33NO3
• 平均质量: 371.51302
• 单一同位素质量: 371.24604392
• SMILES: N(C(=O)CC)(Cc1occc1)CCC(c1ccc(OC(C)C)cc1)C(C)C
• Canonical SMILES: CCC(=O)N(Cc1ccco1)CCC(c1ccc(cc1)OC(C)C)C(C)C
• InChI: InChI=1S/C23H33NO3/c1-6-23(25)24(16-21-8-7-15-26-21)14-13-22(17(2)3)19-9-11-20(12-10-19)27-18(4)5/h7-12,15,17-18,22H,6,13-14,16H2,1-5H3
• InChIKey: GETWNQOWIDFJQQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(furan-2-ylmethyl)-N-{4-methyl-3-[4-(propan-2-yloxy)phenyl]pentyl}propanamide
• IUPAC传统名: N-(furan-2-ylmethyl)-N-[3-(4-isopropoxyphenyl)-4-methylpentyl]propanamide

登记号

• PubChem SID: 164250332
• PubChem CID: 3487759

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 4.9943404
• LogD (pH = 7.4): 4.994341
• Log P: 4.994341
• 摩尔折射率: 109.1871 cm^3
• 极化性: 42.609413 Å^3
• 极化表面积: 42.68 Å^2
• 可自由旋转的化学键: 10
• 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