N-dodecyl-2-hydroxy-N-(2-hydroxyacetyl)acetamide

• ChemBase ID: 112353
• Molecular Formular: C16H31NO4
• Molecular Mass: 301.42164
• Monoisotopic Mass: 301.22530848
• SMILES: CCCCCCCCCCCCN(C(=O)CO)C(=O)CO
• Canonical SMILES: CCCCCCCCCCCCN(C(=O)CO)C(=O)CO
• InChI: InChI=1S/C16H31NO4/c1-2-3-4-5-6-7-8-9-10-11-12-17(15(20)13-18)16(21)14-19/h18-19H,2-14H2,1H3
• InChIKey: NATJGXALFSVMEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-dodecyl-2-hydroxy-N-(2-hydroxyacetyl)acetamide
• IUPAC Traditional name: N-dodecyl-2-hydroxy-N-(2-hydroxyacetyl)acetamide
• Synonyms: LAURYL DIGLYCOLAMIDE

Database IDs

• PubChem SID: 162106662
• PubChem CID: 44135854

CALCULATED PROPERTIES

• Acid pKa: 13.277651
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.4279482
• LogD (pH = 7.4): 2.4279478
• Log P: 2.4279482
• Molar Refractivity: 83.0145 cm^3
• Polarizability: 32.735233 Å^3
• Polar Surface Area: 77.84 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05223600

MP Biomedicals Rare Chemical collection