5-(methoxymethyl)-N-(5-methyl-2-pentanamidophenyl)furan-2-carboxamide

• ChemBase ID: 494085
• Molecular Formular: C19H24N2O4
• Molecular Mass: 344.40486
• Monoisotopic Mass: 344.17360726
• SMILES: c1(C(=O)Nc2c(NC(=O)CCCC)ccc(c2)C)oc(cc1)COC
• Canonical SMILES: CCCCC(=O)Nc1ccc(cc1NC(=O)c1ccc(o1)COC)C
• InChI: InChI=1S/C19H24N2O4/c1-4-5-6-18(22)20-15-9-7-13(2)11-16(15)21-19(23)17-10-8-14(25-17)12-24-3/h7-11H,4-6,12H2,1-3H3,(H,20,22)(H,21,23)
• InChIKey: OJHUUWIUTUOXLL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(methoxymethyl)-N-(5-methyl-2-pentanamidophenyl)furan-2-carboxamide
• IUPAC Traditional name: 5-(methoxymethyl)-N-(5-methyl-2-pentanamidophenyl)furan-2-carboxamide
• Synonyms: 5-(methoxymethyl)-N-[5-methyl-2-(pentanoylamino)phenyl]-2-furamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.966448
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.2619586
• LogD (pH = 7.4): 3.2618482
• Log P: 3.26196
• Molar Refractivity: 99.1601 cm^3
• Polarizability: 36.36431 Å^3
• Polar Surface Area: 80.57 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.5
• LOG S: -3.85
• Polar Surface Area: 80.57 Å^2
• Rotatable Bonds: 8