N-{4-[1-(methoxymethyl)cyclobutaneamido]phenyl}-5-methylfuran-3-carboxamide

• ChemBase ID: 745329
• Molecular Formular: C19H22N2O4
• Molecular Mass: 342.38898
• Monoisotopic Mass: 342.15795719
• SMILES: c1(C(=O)Nc2ccc(NC(=O)C3(COC)CCC3)cc2)cc(oc1)C
• Canonical SMILES: COCC1(CCC1)C(=O)Nc1ccc(cc1)NC(=O)c1coc(c1)C
• InChI: InChI=1S/C19H22N2O4/c1-13-10-14(11-25-13)17(22)20-15-4-6-16(7-5-15)21-18(23)19(12-24-2)8-3-9-19/h4-7,10-11H,3,8-9,12H2,1-2H3,(H,20,22)(H,21,23)
• InChIKey: KFEZEPJPIGCEQE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{4-[1-(methoxymethyl)cyclobutaneamido]phenyl}-5-methylfuran-3-carboxamide
• IUPAC Traditional name: N-{4-[1-(methoxymethyl)cyclobutaneamido]phenyl}-5-methylfuran-3-carboxamide
• Synonyms: N-[4-({[1-(methoxymethyl)cyclobutyl]carbonyl}amino)phenyl]-5-methyl-3-furamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.380154
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.7853823
• LogD (pH = 7.4): 2.785378
• Log P: 2.7853823
• Molar Refractivity: 97.1447 cm^3
• Polarizability: 35.645603 Å^3
• Polar Surface Area: 80.57 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.23
• LOG S: -3.6
• Polar Surface Area: 80.57 Å^2
• Rotatable Bonds: 6