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

• ChemBase ID: 48898
• Molecular Formular: C18H23ClN2O
• Molecular Mass: 318.84102
• Monoisotopic Mass: 318.14989105
• SMILES: C(=O)(N(Cc1ccccc1)CC)C(Cc1ccccc1)N.Cl
• Canonical SMILES: CCN(C(=O)C(Cc1ccccc1)N)Cc1ccccc1.Cl
• InChI: InChI=1S/C18H22N2O.ClH/c1-2-20(14-16-11-7-4-8-12-16)18(21)17(19)13-15-9-5-3-6-10-15;/h3-12,17H,2,13-14,19H2,1H3;1H
• InChIKey: AKSXUMHRZHZKCF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13562146
• PubChem SID: 162053661
• PubChem CID: 56831882

CALCULATED PROPERTIES

• Log P: 2.7993057
• Molar Refractivity: 86.0931 cm^3
• Polarizability: 33.74354 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.40803552
• LogD (pH = 7.4): 2.1020303

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false