N-ethyl-N-(2-hydroxyethyl)pentanamide

• ChemBase ID: 239295
• Molecular Formular: C9H19NO2
• Molecular Mass: 173.25266
• Monoisotopic Mass: 173.14157885
• SMILES: C(=O)(N(CCO)CC)CCCC
• Canonical SMILES: CCCCC(=O)N(CCO)CC
• InChI: InChI=1S/C9H19NO2/c1-3-5-6-9(12)10(4-2)7-8-11/h11H,3-8H2,1-2H3
• InChIKey: ZJHIJDMBYZSQQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-N-(2-hydroxyethyl)pentanamide
• IUPAC Traditional name: N-ethyl-N-(2-hydroxyethyl)pentanamide
• Synonyms: N-ethyl-N-(2-hydroxyethyl)pentanamide

Database IDs

• MDL Number: MFCD10048253
• PubChem SID: 164295205
• PubChem CID: 24284632

CALCULATED PROPERTIES

• Acid pKa: 15.574278
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.6734414
• LogD (pH = 7.4): 0.6734429
• Log P: 0.6734429
• Molar Refractivity: 49.1291 cm^3
• Polarizability: 19.138777 Å^3
• Polar Surface Area: 40.54 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.112

Product Information

• Purity: 95%