3-(4-methoxyphenyl)-N-methyl-3-phenyl-N-(pyrimidin-4-ylmethyl)propanamide

• ChemBase ID: 561867
• Molecular Formular: C22H23N3O2
• Molecular Mass: 361.43692
• Monoisotopic Mass: 361.17902699
• SMILES: C(=O)(CC(c1ccc(cc1)OC)c1ccccc1)N(Cc1ncncc1)C
• Canonical SMILES: COc1ccc(cc1)C(c1ccccc1)CC(=O)N(Cc1ccncn1)C
• InChI: InChI=1S/C22H23N3O2/c1-25(15-19-12-13-23-16-24-19)22(26)14-21(17-6-4-3-5-7-17)18-8-10-20(27-2)11-9-18/h3-13,16,21H,14-15H2,1-2H3
• InChIKey: KMYXVCOLAJKAPZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-methoxyphenyl)-N-methyl-3-phenyl-N-(pyrimidin-4-ylmethyl)propanamide
• IUPAC Traditional name: 3-(4-methoxyphenyl)-N-methyl-3-phenyl-N-(pyrimidin-4-ylmethyl)propanamide
• Synonyms: 3-(4-methoxyphenyl)-N-methyl-3-phenyl-N-(4-pyrimidinylmethyl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.8415358
• LogD (pH = 7.4): 2.8415585
• Log P: 2.8415587
• Molar Refractivity: 105.4437 cm^3
• Polarizability: 40.659397 Å^3
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.97
• LOG S: -3.39
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 6