N,N-bis(2-hydroxyethyl)decanamide

• ChemBase ID: 276391
• Molecular Formular: C14H29NO3
• Molecular Mass: 259.38496
• Monoisotopic Mass: 259.21474379
• SMILES: C(=O)(N(CCO)CCO)CCCCCCCCC
• Canonical SMILES: CCCCCCCCCC(=O)N(CCO)CCO
• InChI: InChI=1S/C14H29NO3/c1-2-3-4-5-6-7-8-9-14(18)15(10-12-16)11-13-17/h16-17H,2-13H2,1H3
• InChIKey: BPXGKRUSMCVZAF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD00483607
• PubChem SID: 164332301
• PubChem CID: 61081

CALCULATED PROPERTIES

• Acid pKa: 15.273095
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.8493751
• LogD (pH = 7.4): 1.8493762
• Log P: 1.8493763
• Molar Refractivity: 73.6778 cm^3
• Polarizability: 28.965923 Å^3
• Polar Surface Area: 60.77 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.026

Product Information

• Purity: 95%