(2S)-2-amino-N-benzyl-N-ethyl-4-methylpentanamide hydrochloride

• ChemBase ID: 244374
• Molecular Formular: C15H25ClN2O
• Molecular Mass: 284.8248
• Monoisotopic Mass: 284.16554111
• SMILES: C(=O)(N(Cc1ccccc1)CC)[C@H](CC(C)C)N.Cl
• Canonical SMILES: CCN(C(=O)[C@H](CC(C)C)N)Cc1ccccc1.Cl
• InChI: InChI=1S/C15H24N2O.ClH/c1-4-17(11-13-8-6-5-7-9-13)15(18)14(16)10-12(2)3;/h5-9,12,14H,4,10-11,16H2,1-3H3;1H/t14-;/m0./s1
• InChIKey: OVBASEFMRZNSOQ-UQKRIMTDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-amino-N-benzyl-N-ethyl-4-methylpentanamide hydrochloride
• IUPAC Traditional name: (2S)-2-amino-N-benzyl-N-ethyl-4-methylpentanamide hydrochloride
• Synonyms: (2S)-2-amino-N-benzyl-N-ethyl-4-methylpentanamide hydrochloride

Database IDs

• MDL Number: MFCD22628515
• PubChem SID: 164300284
• PubChem CID: 71757490

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.27803725
• LogD (pH = 7.4): 1.3372526
• Log P: 2.3970895
• Molar Refractivity: 75.1477 cm^3
• Polarizability: 29.653103 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.824

Product Information

• Purity: 95%