N-butylbutanamide

• ChemBase ID: 235039
• Molecular Formular: C8H17NO
• Molecular Mass: 143.22668
• Monoisotopic Mass: 143.13101417
• SMILES: C(=O)(NCCCC)CCC
• Canonical SMILES: CCCCNC(=O)CCC
• InChI: InChI=1S/C8H17NO/c1-3-5-7-9-8(10)6-4-2/h3-7H2,1-2H3,(H,9,10)
• InChIKey: QJGWNDLRYDTKEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-butylbutanamide
• IUPAC Traditional name: N-butylbutanamide
• Synonyms: N-butylbutanamide

Database IDs

• MDL Number: MFCD03367403
• PubChem SID: 164290949
• PubChem CID: 347960

CALCULATED PROPERTIES

• Acid pKa: 16.579567
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.6623905
• LogD (pH = 7.4): 1.6623913
• Log P: 1.6623913
• Molar Refractivity: 42.4641 cm^3
• Polarizability: 16.67138 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.567

Product Information

• Purity: 95%