N-ethyl-3-(hexadecylamino)propanamide

• ChemBase ID: 24433
• Molecular Formular: C21H44N2O
• Molecular Mass: 340.58686
• Monoisotopic Mass: 340.34536404
• SMILES: C(=O)(CCNCCCCCCCCCCCCCCCC)NCC
• Canonical SMILES: CCCCCCCCCCCCCCCCNCCC(=O)NCC
• InChI: InChI=1S/C21H44N2O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21(24)23-4-2/h22H,3-20H2,1-2H3,(H,23,24)
• InChIKey: WRFODTCDGKTXNO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-3-(hexadecylamino)propanamide
• IUPAC Traditional name: N-ethyl-3-(hexadecylamino)propanamide
• Synonyms: N-Ethyl-3-(hexadecylamino)propanamide

Database IDs

• MDL Number: MFCD10687323
• PubChem SID: 160987740
• PubChem CID: 46736035

CALCULATED PROPERTIES

• Acid pKa: 16.307173
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.742683
• LogD (pH = 7.4): 3.540091
• Log P: 5.954382
• Molar Refractivity: 106.0305 cm^3
• Polarizability: 42.178127 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 19
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false