N-cyclohexyl-N-(2-hydroxy-2-phenylethyl)-2-(2-oxo-1,2-dihydropyrimidin-1-yl)acetamide

• ChemBase ID: 371599
• Molecular Formular: C20H25N3O3
• Molecular Mass: 355.4308
• Monoisotopic Mass: 355.18959168
• SMILES: c1(=O)n(CC(=O)N(CC(c2ccccc2)O)C2CCCCC2)cccn1
• Canonical SMILES: OC(c1ccccc1)CN(C(=O)Cn1cccnc1=O)C1CCCCC1
• InChI: InChI=1S/C20H25N3O3/c24-18(16-8-3-1-4-9-16)14-23(17-10-5-2-6-11-17)19(25)15-22-13-7-12-21-20(22)26/h1,3-4,7-9,12-13,17-18,24H,2,5-6,10-11,14-15H2
• InChIKey: YTSLQNZMWNSWQG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclohexyl-N-(2-hydroxy-2-phenylethyl)-2-(2-oxo-1,2-dihydropyrimidin-1-yl)acetamide
• IUPAC Traditional name: N-cyclohexyl-N-(2-hydroxy-2-phenylethyl)-2-(2-oxopyrimidin-1-yl)acetamide
• Synonyms: N-cyclohexyl-N-(2-hydroxy-2-phenylethyl)-2-(2-oxopyrimidin-1(2H)-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.088356
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.589071
• LogD (pH = 7.4): 1.589071
• Log P: 1.5890712
• Molar Refractivity: 99.265 cm^3
• Polarizability: 38.17674 Å^3
• Polar Surface Area: 73.21 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.03
• LOG S: -3.52
• Polar Surface Area: 75.43 Å^2
• Rotatable Bonds: 6