N-[4-({[2-(4,6-dimethylpyrimidin-2-yl)ethyl]carbamoyl}methoxy)phenyl]propanamide

• ChemBase ID: 523029
• Molecular Formular: C19H24N4O3
• Molecular Mass: 356.41886
• Monoisotopic Mass: 356.18484065
• SMILES: c1(nc(cc(n1)C)C)CCNC(=O)COc1ccc(NC(=O)CC)cc1
• Canonical SMILES: CCC(=O)Nc1ccc(cc1)OCC(=O)NCCc1nc(C)cc(n1)C
• InChI: InChI=1S/C19H24N4O3/c1-4-18(24)23-15-5-7-16(8-6-15)26-12-19(25)20-10-9-17-21-13(2)11-14(3)22-17/h5-8,11H,4,9-10,12H2,1-3H3,(H,20,25)(H,23,24)
• InChIKey: QEGNWAZJKXIVJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-({[2-(4,6-dimethylpyrimidin-2-yl)ethyl]carbamoyl}methoxy)phenyl]propanamide
• IUPAC Traditional name: N-[4-({[2-(4,6-dimethylpyrimidin-2-yl)ethyl]carbamoyl}methoxy)phenyl]propanamide
• Synonyms: N-[4-(2-{[2-(4,6-dimethylpyrimidin-2-yl)ethyl]amino}-2-oxoethoxy)phenyl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.339025
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.5812719
• LogD (pH = 7.4): 1.5820247
• Log P: 1.5820343
• Molar Refractivity: 99.4846 cm^3
• Polarizability: 37.6464 Å^3
• Polar Surface Area: 93.21 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 1.17
• LOG S: -2.8
• Polar Surface Area: 93.21 Å^2
• Rotatable Bonds: 8