N-cyclooctyl-2-{[1-(pyrazin-2-yl)propan-2-yl]amino}acetamide

• ChemBase ID: 650670
• Molecular Formular: C17H28N4O
• Molecular Mass: 304.43042
• Monoisotopic Mass: 304.22631154
• SMILES: C(=O)(NC1CCCCCCC1)CNC(Cc1nccnc1)C
• Canonical SMILES: CC(Cc1nccnc1)NCC(=O)NC1CCCCCCC1
• InChI: InChI=1S/C17H28N4O/c1-14(11-16-12-18-9-10-19-16)20-13-17(22)21-15-7-5-3-2-4-6-8-15/h9-10,12,14-15,20H,2-8,11,13H2,1H3,(H,21,22)
• InChIKey: LUQPKGXOIBXDFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclooctyl-2-{[1-(pyrazin-2-yl)propan-2-yl]amino}acetamide
• IUPAC Traditional name: N-cyclooctyl-2-{[1-(pyrazin-2-yl)propan-2-yl]amino}acetamide
• Synonyms: N-cyclooctyl-2-[(1-methyl-2-pyrazin-2-ylethyl)amino]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.316042
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.2404274
• LogD (pH = 7.4): 0.4790893
• Log P: 1.4144341
• Molar Refractivity: 86.6079 cm^3
• Polarizability: 34.403404 Å^3
• Polar Surface Area: 66.91 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.84
• LOG S: -2.99
• Polar Surface Area: 66.91 Å^2
• Rotatable Bonds: 6