2-(2-oxoazocan-1-yl)acetamide

• ChemBase ID: 272645
• Molecular Formular: C9H16N2O2
• Molecular Mass: 184.23554
• Monoisotopic Mass: 184.12117776
• SMILES: N1(C(=O)CCCCCC1)CC(=O)N
• Canonical SMILES: NC(=O)CN1CCCCCCC1=O
• InChI: InChI=1S/C9H16N2O2/c10-8(12)7-11-6-4-2-1-3-5-9(11)13/h1-7H2,(H2,10,12)
• InChIKey: ODUYEWNBIKJJDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-oxoazocan-1-yl)acetamide
• IUPAC Traditional name: 2-(2-oxoazocan-1-yl)acetamide
• Synonyms: 2-(2-oxoazocan-1-yl)acetamide

Database IDs

• MDL Number: MFCD16044950
• PubChem SID: 164328555
• PubChem CID: 50989596

CALCULATED PROPERTIES

• Acid pKa: 16.224169
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.35118693
• LogD (pH = 7.4): -0.35118654
• Log P: -0.35118654
• Molar Refractivity: 48.8644 cm^3
• Polarizability: 19.027044 Å^3
• Polar Surface Area: 63.4 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.495

Product Information

• Purity: 95%