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

• ChemBase ID: 48890
• Molecular Formular: C16H25ClN2O
• Molecular Mass: 296.8355
• Monoisotopic Mass: 296.16554111
• SMILES: C(=O)(N(C1CCCCC1)C)C(Cc1ccccc1)N.Cl
• Canonical SMILES: NC(C(=O)N(C1CCCCC1)C)Cc1ccccc1.Cl
• InChI: InChI=1S/C16H24N2O.ClH/c1-18(14-10-6-3-7-11-14)16(19)15(17)12-13-8-4-2-5-9-13;/h2,4-5,8-9,14-15H,3,6-7,10-12,17H2,1H3;1H
• InChIKey: JOXDJOOHGLDEOD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13562138
• PubChem SID: 162053653
• PubChem CID: 56831879

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.12575299
• LogD (pH = 7.4): 1.8197381
• Log P: 2.5172951
• Molar Refractivity: 77.7461 cm^3
• Polarizability: 30.764114 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false