N,N-bis(2-hydroxyethyl)octanamide

• ChemBase ID: 276392
• Molecular Formular: C12H25NO3
• Molecular Mass: 231.3318
• Monoisotopic Mass: 231.18344367
• SMILES: C(=O)(N(CCO)CCO)CCCCCCC
• Canonical SMILES: CCCCCCCC(=O)N(CCO)CCO
• InChI: InChI=1S/C12H25NO3/c1-2-3-4-5-6-7-12(16)13(8-10-14)9-11-15/h14-15H,2-11H2,1H3
• InChIKey: FZQAYFWUOCXLKJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-bis(2-hydroxyethyl)octanamide
• IUPAC Traditional name: N,N-bis(2-hydroxyethyl)octanamide
• Synonyms: N,N-bis(2-hydroxyethyl)octanamide

Database IDs

• MDL Number: MFCD14602893
• PubChem SID: 164332302
• PubChem CID: 76499

CALCULATED PROPERTIES

• Acid pKa: 15.273095
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.96023774
• LogD (pH = 7.4): 0.96023893
• Log P: 0.96023893
• Molar Refractivity: 64.4758 cm^3
• Polarizability: 25.290272 Å^3
• Polar Surface Area: 60.77 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.968

Product Information

• Purity: 95%