N-[2-(4,6-dimethyl-2-oxo-1,2-dihydropyrimidin-1-yl)ethyl]-2-(2,3,6-trimethylphenoxy)acetamide

• ChemBase ID: 340796
• Molecular Formular: C19H25N3O3
• Molecular Mass: 343.4201
• Monoisotopic Mass: 343.18959168
• SMILES: c1(=O)n(c(cc(n1)C)C)CCNC(=O)COc1c(c(ccc1C)C)C
• Canonical SMILES: O=C(COc1c(C)ccc(c1C)C)NCCn1c(C)cc(nc1=O)C
• InChI: InChI=1S/C19H25N3O3/c1-12-6-7-13(2)18(16(12)5)25-11-17(23)20-8-9-22-15(4)10-14(3)21-19(22)24/h6-7,10H,8-9,11H2,1-5H3,(H,20,23)
• InChIKey: IXXWMYGIGMLQRX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(4,6-dimethyl-2-oxo-1,2-dihydropyrimidin-1-yl)ethyl]-2-(2,3,6-trimethylphenoxy)acetamide
• IUPAC Traditional name: N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-(2,3,6-trimethylphenoxy)acetamide
• Synonyms: N-[2-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)ethyl]-2-(2,3,6-trimethylphenoxy)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.258356
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.1144478
• LogD (pH = 7.4): 2.114448
• Log P: 2.114448
• Molar Refractivity: 98.7504 cm^3
• Polarizability: 36.896553 Å^3
• Polar Surface Area: 71.0 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: 2.74
• LOG S: -4.04
• Polar Surface Area: 73.22 Å^2
• Rotatable Bonds: 6