N-(furan-2-ylmethyl)-4-methoxy-N-(3-methylbutan-2-yl)cyclohexane-1-carboxamide

• ChemBase ID: 548783
• Molecular Formular: C18H29NO3
• Molecular Mass: 307.42776
• Monoisotopic Mass: 307.21474379
• SMILES: N(C(=O)C1CCC(CC1)OC)(C(C(C)C)C)Cc1occc1
• Canonical SMILES: COC1CCC(CC1)C(=O)N(C(C(C)C)C)Cc1ccco1
• InChI: InChI=1S/C18H29NO3/c1-13(2)14(3)19(12-17-6-5-11-22-17)18(20)15-7-9-16(21-4)10-8-15/h5-6,11,13-16H,7-10,12H2,1-4H3
• InChIKey: IFWAZSHRYSQJSX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(furan-2-ylmethyl)-4-methoxy-N-(3-methylbutan-2-yl)cyclohexane-1-carboxamide
• IUPAC Traditional name: N-(furan-2-ylmethyl)-4-methoxy-N-(3-methylbutan-2-yl)cyclohexane-1-carboxamide
• Synonyms: N-(1,2-dimethylpropyl)-N-(2-furylmethyl)-4-methoxycyclohexanecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.2325685
• LogD (pH = 7.4): 3.2325718
• Log P: 3.232572
• Molar Refractivity: 87.0487 cm^3
• Polarizability: 34.143555 Å^3
• Polar Surface Area: 42.68 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.43
• LOG S: -3.52
• Polar Surface Area: 42.68 Å^2
• Rotatable Bonds: 6