N-(4-{[(prop-2-en-1-yl)carbamoyl]methoxy}phenyl)propanamide

• ChemBase ID: 700549
• Molecular Formular: C14H18N2O3
• Molecular Mass: 262.30432
• Monoisotopic Mass: 262.13174245
• SMILES: C(=O)(Nc1ccc(OCC(=O)NCC=C)cc1)CC
• Canonical SMILES: C=CCNC(=O)COc1ccc(cc1)NC(=O)CC
• InChI: InChI=1S/C14H18N2O3/c1-3-9-15-14(18)10-19-12-7-5-11(6-8-12)16-13(17)4-2/h3,5-8H,1,4,9-10H2,2H3,(H,15,18)(H,16,17)
• InChIKey: RUBQUVGTAJEQRF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-{[(prop-2-en-1-yl)carbamoyl]methoxy}phenyl)propanamide
• IUPAC Traditional name: N-(4-{[(prop-2-en-1-yl)carbamoyl]methoxy}phenyl)propanamide
• Synonyms: N-{4-[2-(allylamino)-2-oxoethoxy]phenyl}propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.400756
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.3797873
• LogD (pH = 7.4): 1.3797873
• Log P: 1.3797873
• Molar Refractivity: 73.9773 cm^3
• Polarizability: 27.906334 Å^3
• Polar Surface Area: 67.43 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.3
• LOG S: -2.23
• Polar Surface Area: 67.43 Å^2
• Rotatable Bonds: 7