2-amino-2-methyl-N-(1-phenylethyl)pentanamide

• ChemBase ID: 242124
• Molecular Formular: C14H22N2O
• Molecular Mass: 234.33728
• Monoisotopic Mass: 234.17321333
• SMILES: C(=O)(NC(c1ccccc1)C)C(N)(CCC)C
• Canonical SMILES: CCCC(C(=O)NC(c1ccccc1)C)(N)C
• InChI: InChI=1S/C14H22N2O/c1-4-10-14(3,15)13(17)16-11(2)12-8-6-5-7-9-12/h5-9,11H,4,10,15H2,1-3H3,(H,16,17)
• InChIKey: BGSUQVLWKNOKQB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-2-methyl-N-(1-phenylethyl)pentanamide
• IUPAC Traditional name: 2-amino-2-methyl-N-(1-phenylethyl)pentanamide
• Synonyms: 2-amino-2-methyl-N-(1-phenylethyl)pentanamide

Database IDs

• MDL Number: MFCD12537359
• PubChem SID: 164298034
• PubChem CID: 54928141

CALCULATED PROPERTIES

• Acid pKa: 14.597056
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.42641112
• LogD (pH = 7.4): 1.0713856
• Log P: 2.3789272
• Molar Refractivity: 70.0859 cm^3
• Polarizability: 27.807209 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.261

Product Information

• Purity: 95%