2,3,5,6-tetramethyl-N-[1-(pyrazin-2-yl)propan-2-yl]benzamide

• ChemBase ID: 365786
• Molecular Formular: C18H23N3O
• Molecular Mass: 297.39472
• Monoisotopic Mass: 297.18411237
• SMILES: C(=O)(c1c(c(cc(c1C)C)C)C)NC(Cc1nccnc1)C
• Canonical SMILES: CC(NC(=O)c1c(C)c(C)cc(c1C)C)Cc1cnccn1
• InChI: InChI=1S/C18H23N3O/c1-11-8-12(2)15(5)17(14(11)4)18(22)21-13(3)9-16-10-19-6-7-20-16/h6-8,10,13H,9H2,1-5H3,(H,21,22)
• InChIKey: PVFXEJMHDMUDNL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3,5,6-tetramethyl-N-[1-(pyrazin-2-yl)propan-2-yl]benzamide
• IUPAC Traditional name: 2,3,5,6-tetramethyl-N-[1-(pyrazin-2-yl)propan-2-yl]benzamide
• Synonyms: 2,3,5,6-tetramethyl-N-(1-methyl-2-pyrazin-2-ylethyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.8670225
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.1254308
• LogD (pH = 7.4): 3.1254356
• Log P: 3.1254356
• Molar Refractivity: 89.0927 cm^3
• Polarizability: 33.5426 Å^3
• Polar Surface Area: 54.88 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.08
• LOG S: -3.15
• Polar Surface Area: 54.88 Å^2
• Rotatable Bonds: 4