2-amino-N-cyclohexyl-3-phenylpropanamide hydrochloride

• ChemBase ID: 49754
• Molecular Formular: C15H23ClN2O
• Molecular Mass: 282.80892
• Monoisotopic Mass: 282.14989105
• SMILES: C(=O)(NC1CCCCC1)C(Cc1ccccc1)N.Cl
• Canonical SMILES: NC(C(=O)NC1CCCCC1)Cc1ccccc1.Cl
• InChI: InChI=1S/C15H22N2O.ClH/c16-14(11-12-7-3-1-4-8-12)15(18)17-13-9-5-2-6-10-13;/h1,3-4,7-8,13-14H,2,5-6,9-11,16H2,(H,17,18);1H
• InChIKey: HRGCKPBUBLMTFI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-cyclohexyl-3-phenylpropanamide hydrochloride
• IUPAC Traditional name: 2-amino-N-cyclohexyl-3-phenylpropanamide hydrochloride
• Synonyms: 2-Amino-N-cyclohexyl-3-phenylpropanamide hydrochloride

Database IDs

• MDL Number: MFCD13562653
• PubChem SID: 162054517
• PubChem CID: 56832150

CALCULATED PROPERTIES

• Acid pKa: 15.777335
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.10319686
• LogD (pH = 7.4): 1.5905844
• Log P: 2.293619
• Molar Refractivity: 72.8494 cm^3
• Polarizability: 28.918991 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false