2-amino-N-benzyl-N-ethylpentanamide

• ChemBase ID: 241894
• Molecular Formular: C14H22N2O
• Molecular Mass: 234.33728
• Monoisotopic Mass: 234.17321333
• SMILES: C(=O)(N(Cc1ccccc1)CC)C(N)CCC
• Canonical SMILES: CCCC(C(=O)N(Cc1ccccc1)CC)N
• InChI: InChI=1S/C14H22N2O/c1-3-8-13(15)14(17)16(4-2)11-12-9-6-5-7-10-12/h5-7,9-10,13H,3-4,8,11,15H2,1-2H3
• InChIKey: HHJPDKQIPXSPQE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-benzyl-N-ethylpentanamide
• IUPAC Traditional name: 2-amino-N-benzyl-N-ethylpentanamide
• Synonyms: 2-amino-N-benzyl-N-ethylpentanamide

Database IDs

• MDL Number: MFCD12105316
• PubChem SID: 164297804
• PubChem CID: 43650222

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.5694445
• LogD (pH = 7.4): 1.0431268
• Log P: 2.1100702
• Molar Refractivity: 70.5991 cm^3
• Polarizability: 27.807623 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.425

Product Information

• Purity: 95%