6-acetamidohexanamide

• ChemBase ID: 261615
• Molecular Formular: C8H16N2O2
• Molecular Mass: 172.22484
• Monoisotopic Mass: 172.12117776
• SMILES: C(=O)(NCCCCCC(=O)N)C
• Canonical SMILES: NC(=O)CCCCCNC(=O)C
• InChI: InChI=1S/C8H16N2O2/c1-7(11)10-6-4-2-3-5-8(9)12/h2-6H2,1H3,(H2,9,12)(H,10,11)
• InChIKey: DKTLRYBPEORJBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-acetamidohexanamide
• IUPAC Traditional name: 6-acetamidohexanamide
• Synonyms: 6-acetamidohexanamide

Database IDs

• MDL Number: MFCD00012108
• PubChem SID: 164317525
• PubChem CID: 21103226

CALCULATED PROPERTIES

• Acid pKa: 15.977975
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.720761
• LogD (pH = 7.4): -0.7207603
• Log P: -0.7207603
• Molar Refractivity: 45.9258 cm^3
• Polarizability: 17.910904 Å^3
• Polar Surface Area: 72.19 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 112 - 114°C
• Hydrophobicity(logP): -1.299

Product Information

• Purity: 95%