N-cyclohexyl-5-(2,6-dimethoxyphenyl)furan-2-carboxamide

• ChemBase ID: 373454
• Molecular Formular: C19H23NO4
• Molecular Mass: 329.39022
• Monoisotopic Mass: 329.16270822
• SMILES: c1(oc(C(=O)NC2CCCCC2)cc1)c1c(OC)cccc1OC
• Canonical SMILES: COc1cccc(c1c1ccc(o1)C(=O)NC1CCCCC1)OC
• InChI: InChI=1S/C19H23NO4/c1-22-14-9-6-10-15(23-2)18(14)16-11-12-17(24-16)19(21)20-13-7-4-3-5-8-13/h6,9-13H,3-5,7-8H2,1-2H3,(H,20,21)
• InChIKey: QPLQWPILYQISHJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclohexyl-5-(2,6-dimethoxyphenyl)furan-2-carboxamide
• IUPAC Traditional name: N-cyclohexyl-5-(2,6-dimethoxyphenyl)furan-2-carboxamide
• Synonyms: N-cyclohexyl-5-(2,6-dimethoxyphenyl)-2-furamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.463345
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.1589632
• LogD (pH = 7.4): 3.1589632
• Log P: 3.1589632
• Molar Refractivity: 91.3783 cm^3
• Polarizability: 36.345695 Å^3
• Polar Surface Area: 60.7 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.08
• LOG S: -4.23
• Polar Surface Area: 60.7 Å^2
• Rotatable Bonds: 5