4-[4-(carbamoylmethoxy)phenyl]-N,N-dimethylbenzamide

• ChemBase ID: 624478
• Molecular Formular: C17H18N2O3
• Molecular Mass: 298.33642
• Monoisotopic Mass: 298.13174245
• SMILES: C(=O)(c1ccc(c2ccc(OCC(=O)N)cc2)cc1)N(C)C
• Canonical SMILES: NC(=O)COc1ccc(cc1)c1ccc(cc1)C(=O)N(C)C
• InChI: InChI=1S/C17H18N2O3/c1-19(2)17(21)14-5-3-12(4-6-14)13-7-9-15(10-8-13)22-11-16(18)20/h3-10H,11H2,1-2H3,(H2,18,20)
• InChIKey: LILPSDYZWIPXOC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[4-(carbamoylmethoxy)phenyl]-N,N-dimethylbenzamide
• IUPAC Traditional name: 4-[4-(carbamoylmethoxy)phenyl]-N,N-dimethylbenzamide
• Synonyms: 4'-(2-amino-2-oxoethoxy)-N,N-dimethylbiphenyl-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.521559
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4318329
• LogD (pH = 7.4): 1.431833
• Log P: 1.431833
• Molar Refractivity: 84.436 cm^3
• Polarizability: 33.35137 Å^3
• Polar Surface Area: 72.63 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.52
• LOG S: -1.82
• Polar Surface Area: 72.63 Å^2
• Rotatable Bonds: 5