N-cyclopropyl-N-[(3-ethoxyphenyl)methyl]-2-(2-oxo-1,2-dihydropyrimidin-1-yl)acetamide

• ChemBase ID: 420173
• Molecular Formular: C18H21N3O3
• Molecular Mass: 327.37764
• Monoisotopic Mass: 327.15829155
• SMILES: c1(=O)n(CC(=O)N(C2CC2)Cc2cc(OCC)ccc2)cccn1
• Canonical SMILES: CCOc1cccc(c1)CN(C(=O)Cn1cccnc1=O)C1CC1
• InChI: InChI=1S/C18H21N3O3/c1-2-24-16-6-3-5-14(11-16)12-21(15-7-8-15)17(22)13-20-10-4-9-19-18(20)23/h3-6,9-11,15H,2,7-8,12-13H2,1H3
• InChIKey: BBHKKLVPHHFKQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-N-[(3-ethoxyphenyl)methyl]-2-(2-oxo-1,2-dihydropyrimidin-1-yl)acetamide
• IUPAC Traditional name: N-cyclopropyl-N-[(3-ethoxyphenyl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide
• Synonyms: N-cyclopropyl-N-(3-ethoxybenzyl)-2-(2-oxopyrimidin-1(2H)-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.157276
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.0848367
• LogD (pH = 7.4): 1.0848368
• Log P: 1.0848368
• Molar Refractivity: 90.7113 cm^3
• Polarizability: 34.55755 Å^3
• Polar Surface Area: 62.21 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: 1.33
• LOG S: -2.72
• Polar Surface Area: 64.43 Å^2
• Rotatable Bonds: 7