2-amino-N-benzyl-4-methyl-N-propylpentanamide hydrochloride

• ChemBase ID: 242895
• Molecular Formular: C16H27ClN2O
• Molecular Mass: 298.85138
• Monoisotopic Mass: 298.18119117
• SMILES: C(=O)(N(Cc1ccccc1)CCC)C(CC(C)C)N.Cl
• Canonical SMILES: CCCN(C(=O)C(CC(C)C)N)Cc1ccccc1.Cl
• InChI: InChI=1S/C16H26N2O.ClH/c1-4-10-18(12-14-8-6-5-7-9-14)16(19)15(17)11-13(2)3;/h5-9,13,15H,4,10-12,17H2,1-3H3;1H
• InChIKey: IIMDLRYVKSSPGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-benzyl-4-methyl-N-propylpentanamide hydrochloride
• IUPAC Traditional name: 2-amino-N-benzyl-4-methyl-N-propylpentanamide hydrochloride
• Synonyms: 2-amino-N-benzyl-4-methyl-N-propylpentanamide hydrochloride

Database IDs

• MDL Number: MFCD22578540
• PubChem SID: 164298805
• PubChem CID: 71757108

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.24448806
• LogD (pH = 7.4): 1.8597796
• Log P: 2.919612
• Molar Refractivity: 79.6717 cm^3
• Polarizability: 31.498756 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.353

Product Information

• Purity: 95%