2-amino-N-[2-(cyclohex-1-en-1-yl)ethyl]benzamide

• ChemBase ID: 312091
• Molecular Formular: C15H20N2O
• Molecular Mass: 244.3321
• Monoisotopic Mass: 244.15756327
• SMILES: c1(C(=O)NCCC2=CCCCC2)c(N)cccc1
• Canonical SMILES: O=C(c1ccccc1N)NCCC1=CCCCC1
• InChI: InChI=1S/C15H20N2O/c16-14-9-5-4-8-13(14)15(18)17-11-10-12-6-2-1-3-7-12/h4-6,8-9H,1-3,7,10-11,16H2,(H,17,18)
• InChIKey: VUVCDDVYWNXVJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-[2-(cyclohex-1-en-1-yl)ethyl]benzamide
• IUPAC Traditional name: 2-amino-N-[2-(cyclohex-1-en-1-yl)ethyl]benzamide
• Synonyms: 2-amino-N-[2-(1-cyclohexen-1-yl)ethyl]benzamide

Database IDs

• CAS Number: 825657-70-3
• MDL Number: MFCD06624317

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.9429393
• LogD (pH = 7.4): 2.943942
• Log P: 2.943955
• Molar Refractivity: 76.0065 cm^3
• Polarizability: 28.067278 Å^3
• Polar Surface Area: 55.12 Å^2