N-[3-(dimethylamino)propyl]octadecanamide

• ChemBase ID: 129615
• Molecular Formular: C23H48N2O
• Molecular Mass: 368.64002
• Monoisotopic Mass: 368.37666417
• SMILES: CCCCCCCCCCCCCCCCCC(=O)NCCCN(C)C
• Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)NCCCN(C)C
• InChI: InChI=1S/C23H48N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(26)24-21-19-22-25(2)3/h4-22H2,1-3H3,(H,24,26)
• InChIKey: WWVIUVHFPSALDO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(dimethylamino)propyl]octadecanamide
• IUPAC Traditional name: stearamidopropyl dimethylamine
• Synonyms: N-(3-Dimethylaminopropyl)octadecanamide; Stearamidopropyl dimethylamine

Database IDs

• CAS Number: 7651-02-7
• EC Number: 231-609-1
• PubChem SID: 162223905
• PubChem CID: 62109
• Chemspider ID: 55945
• MeSH Name: N-(3-(dimethylamino)propyl)octadecanamide
• Wikipedia Title: Stearamidopropyl_dimethylamine

CALCULATED PROPERTIES

• Acid pKa: 16.432419
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.317204
• LogD (pH = 7.4): 4.748404
• Log P: 6.641058
• Molar Refractivity: 115.889 cm^3
• Polarizability: 45.87015 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 20
• Lipinski's Rule of Five: false