N-(octadecanamidomethyl)octadecanamide

• ChemBase ID: 108477
• Molecular Formular: C37H74N2O2
• Molecular Mass: 578.99566
• Monoisotopic Mass: 578.57502962
• SMILES: CCCCCCCCCCCCCCCCCC(=O)NCNC(=O)CCCCCCCCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)NCNC(=O)CCCCCCCCCCCCCCCCC
• InChI: InChI=1S/C37H74N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36(40)38-35-39-37(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-35H2,1-2H3,(H,38,40)(H,39,41)
• InChIKey: FTQWRYSLUYAIRQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(octadecanamidomethyl)octadecanamide
• IUPAC Traditional name: N-(octadecanamidomethyl)octadecanamide
• Synonyms: METHYLENEBISSTEARAMIDE

Database IDs

• CAS Number: 109-23-9
• PubChem SID: 162094688
• PubChem CID: 66954

CALCULATED PROPERTIES

• Acid pKa: 13.425831
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 13.063483
• LogD (pH = 7.4): 13.063483
• Log P: 13.063483
• Molar Refractivity: 178.8495 cm^3
• Polarizability: 71.34567 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 34
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05207494

MP Biomedicals Rare Chemical collection