N-heptyl-4-hydroxybutanamide

• ChemBase ID: 81537
• Molecular Formular: C11H23NO2
• Molecular Mass: 201.30582
• Monoisotopic Mass: 201.17287898
• SMILES: O=C(NCCCCCCC)CCCO
• Canonical SMILES: CCCCCCCNC(=O)CCCO
• InChI: InChI=1S/C11H23NO2/c1-2-3-4-5-6-9-12-11(14)8-7-10-13/h13H,2-10H2,1H3,(H,12,14)
• InChIKey: YUFFUVLTDLCYDY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-heptyl-4-hydroxybutanamide
• IUPAC Traditional name: N-heptyl-4-hydroxybutanamide
• Synonyms: N1-heptyl-4-hydroxybutanamide

Database IDs

• MDL Number: MFCD00465654
• PubChem SID: 162068656
• PubChem CID: 2777429

CALCULATED PROPERTIES

• Acid pKa: 15.815474
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.559418
• LogD (pH = 7.4): 1.5594187
• Log P: 1.5594187
• Molar Refractivity: 58.1958 cm^3
• Polarizability: 22.817007 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true