N-(3-{[butyl(furan-2-ylmethyl)carbamoyl]methoxy}phenyl)propanamide

• ChemBase ID: 489267
• Molecular Formular: C20H26N2O4
• Molecular Mass: 358.43144
• Monoisotopic Mass: 358.18925732
• SMILES: C(=O)(N(Cc1occc1)CCCC)COc1cc(NC(=O)CC)ccc1
• Canonical SMILES: CCCCN(C(=O)COc1cccc(c1)NC(=O)CC)Cc1ccco1
• InChI: InChI=1S/C20H26N2O4/c1-3-5-11-22(14-18-10-7-12-25-18)20(24)15-26-17-9-6-8-16(13-17)21-19(23)4-2/h6-10,12-13H,3-5,11,14-15H2,1-2H3,(H,21,23)
• InChIKey: UIIBRFCHKOAROS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-{[butyl(furan-2-ylmethyl)carbamoyl]methoxy}phenyl)propanamide
• IUPAC Traditional name: N-(3-{[butyl(furan-2-ylmethyl)carbamoyl]methoxy}phenyl)propanamide
• Synonyms: N-(3-{2-[butyl(2-furylmethyl)amino]-2-oxoethoxy}phenyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.791219
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.9808323
• LogD (pH = 7.4): 2.980832
• Log P: 2.9808323
• Molar Refractivity: 100.5884 cm^3
• Polarizability: 38.291016 Å^3
• Polar Surface Area: 71.78 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.42
• LOG S: -4.74
• Polar Surface Area: 71.78 Å^2
• Rotatable Bonds: 10