N-cyclohexyl-2-(3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetamide

• ChemBase ID: 30092
• Molecular Formular: C16H21N3O2
• Molecular Mass: 287.35684
• Monoisotopic Mass: 287.16337693
• SMILES: N1C(=O)C(Nc2c1cccc2)CC(=O)NC1CCCCC1
• Canonical SMILES: O=C(CC1Nc2ccccc2NC1=O)NC1CCCCC1
• InChI: InChI=1S/C16H21N3O2/c20-15(17-11-6-2-1-3-7-11)10-14-16(21)19-13-9-5-4-8-12(13)18-14/h4-5,8-9,11,14,18H,1-3,6-7,10H2,(H,17,20)(H,19,21)
• InChIKey: YINQSHIVHBYKHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclohexyl-2-(3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetamide
• IUPAC Traditional name: N-cyclohexyl-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide
• Synonyms: N-Cyclohexyl-2-(3-oxo-1,2,3,4-tetrahydro-quinoxalin-2-yl)-acetamide

Database IDs

• MDL Number: MFCD01593767
• PubChem SID: 160993399
• PubChem CID: 647104

CALCULATED PROPERTIES

• Acid pKa: 13.092102
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 1.5279894
• LogD (pH = 7.4): 1.5280185
• Log P: 1.5280197
• Molar Refractivity: 82.8181 cm^3
• Polarizability: 30.83762 Å^3
• Polar Surface Area: 70.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false