2-(4,6-dimethyl-2-oxo-1,2-dihydropyrimidin-1-yl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

• ChemBase ID: 511184
• Molecular Formular: C19H23N3O2
• Molecular Mass: 325.40482
• Monoisotopic Mass: 325.17902699
• SMILES: n1(c(=O)nc(cc1C)C)CC(=O)N(C1c2c(CCC1)cccc2)C
• Canonical SMILES: O=C(N(C1CCCc2c1cccc2)C)Cn1c(C)cc(nc1=O)C
• InChI: InChI=1S/C19H23N3O2/c1-13-11-14(2)22(19(24)20-13)12-18(23)21(3)17-10-6-8-15-7-4-5-9-16(15)17/h4-5,7,9,11,17H,6,8,10,12H2,1-3H3
• InChIKey: CGZZCSNFFFIXTE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4,6-dimethyl-2-oxo-1,2-dihydropyrimidin-1-yl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
• IUPAC Traditional name: 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
• Synonyms: 2-(4,6-dimethyl-2-oxo-1(2H)-pyrimidinyl)-N-methyl-N-(1,2,3,4-tetrahydro-1-naphthalenyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.181353
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.8670762
• LogD (pH = 7.4): 1.8670763
• Log P: 1.8670763
• Molar Refractivity: 94.7657 cm^3
• Polarizability: 35.63212 Å^3
• Polar Surface Area: 52.98 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.78
• LOG S: -3.09
• Polar Surface Area: 55.2 Å^2
• Rotatable Bonds: 3