2-{[(5-methylpyrazin-2-yl)methyl]amino}-N-[1-(4-propylphenyl)ethyl]acetamide

• ChemBase ID: 409538
• Molecular Formular: C19H26N4O
• Molecular Mass: 326.43594
• Monoisotopic Mass: 326.21066147
• SMILES: N(C(=O)CNCc1ncc(nc1)C)C(c1ccc(cc1)CCC)C
• Canonical SMILES: CCCc1ccc(cc1)C(NC(=O)CNCc1cnc(cn1)C)C
• InChI: InChI=1S/C19H26N4O/c1-4-5-16-6-8-17(9-7-16)15(3)23-19(24)13-20-11-18-12-21-14(2)10-22-18/h6-10,12,15,20H,4-5,11,13H2,1-3H3,(H,23,24)
• InChIKey: VJYGPNFMEAOVPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[(5-methylpyrazin-2-yl)methyl]amino}-N-[1-(4-propylphenyl)ethyl]acetamide
• IUPAC Traditional name: 2-{[(5-methylpyrazin-2-yl)methyl]amino}-N-[1-(4-propylphenyl)ethyl]acetamide
• Synonyms: 2-{[(5-methylpyrazin-2-yl)methyl]amino}-N-[1-(4-propylphenyl)ethyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.237774
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.47987717
• LogD (pH = 7.4): 1.6600894
• Log P: 1.7474154
• Molar Refractivity: 95.1396 cm^3
• Polarizability: 37.282635 Å^3
• Polar Surface Area: 66.91 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.41
• LOG S: -3.64
• Polar Surface Area: 66.91 Å^2
• Rotatable Bonds: 8