N-cyclohexyl-2-[(furan-2-ylmethyl)amino]acetamide

• ChemBase ID: 123741
• Molecular Formular: C13H20N2O2
• Molecular Mass: 236.3101
• Monoisotopic Mass: 236.15247789
• SMILES: C(=O)(NC1CCCCC1)CNCc1occc1
• Canonical SMILES: O=C(NC1CCCCC1)CNCc1ccco1
• InChI: InChI=1S/C13H20N2O2/c16-13(15-11-5-2-1-3-6-11)10-14-9-12-7-4-8-17-12/h4,7-8,11,14H,1-3,5-6,9-10H2,(H,15,16)
• InChIKey: PEUAWINZMAGWOX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclohexyl-2-[(furan-2-ylmethyl)amino]acetamide
• IUPAC Traditional name: N-cyclohexyl-2-[(furan-2-ylmethyl)amino]acetamide
• Synonyms: N-cyclohexyl-2-((furan-2-ylmethyl)amino)acetamide

Database IDs

• PubChem SID: 162218094
• PubChem CID: 28586521

CALCULATED PROPERTIES

• Acid pKa: 15.092412
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.22848247
• LogD (pH = 7.4): 1.1378009
• Log P: 1.2858286
• Molar Refractivity: 65.5146 cm^3
• Polarizability: 25.77193 Å^3
• Polar Surface Area: 54.27 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true