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

• ChemBase ID: 48893
• Molecular Formular: C17H27ClN2O
• Molecular Mass: 310.86208
• Monoisotopic Mass: 310.18119117
• SMILES: C(=O)(N(C1CCCCC1)CC)C(Cc1ccccc1)N.Cl
• Canonical SMILES: CCN(C(=O)C(Cc1ccccc1)N)C1CCCCC1.Cl
• InChI: InChI=1S/C17H26N2O.ClH/c1-2-19(15-11-7-4-8-12-15)17(20)16(18)13-14-9-5-3-6-10-14;/h3,5-6,9-10,15-16H,2,4,7-8,11-13,18H2,1H3;1H
• InChIKey: LTMBSCUDRCJBNI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13562141
• PubChem SID: 162053656
• PubChem CID: 56831881

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.48280385
• LogD (pH = 7.4): 2.1767976
• Log P: 2.874103
• Molar Refractivity: 82.4947 cm^3
• Polarizability: 32.609444 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false