N-[2-(2-azanylhexadecanoylamino)-2-(dimethylamino)-3-methyl-hexan-3-yl]docosanamide

Systemtic Name: N-[2-(2-azanylhexadecanoylamino)-2-(dimethylamino)-3-methyl-hexan-3-yl]docosanamide Openeye Name: N-[1-[1-(2-aminohexadecanoylamino)-1-(dimethylamino)ethyl]-1-methyl-butyl]docosanamide CAS Name: N-[2-[(2-amino-1-oxohexadecyl)amino]-2-(dimethylamino)-3-methylhexan-3-yl]docosanamide IUPAC Name: N-[2-(2-aminohexadecanoylamino)-2-(dimethylamino)-3-methylhexan-3-yl]docosanamide Traditional Name: N-[1-[1-(2-aminohexadecanoylamino)-1-(dimethylamino)ethyl]-1-methyl-butyl]behenamide Formula: C47H96N4O2 MolecularWeight: 749.29074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)NC(C)(CCC)C(C)(NC(=O)C(CCCCCCCCCCCCCC)N)N(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)NC(C)(CCC)C(C)(NC(=O)C(CCCCCCCCCCCCCC)N)N(C)C

InChI

InChI=1S/C47H96N4O2/c1-8-11-13-15-17-19-21-23-24-25-26-27-28-29-31-33-35-37-39-41-44(52)49-46(4,42-10-3)47(5,51(6)7)50-45(53)43(48)40-38-36-34-32-30-22-20-18-16-14-12-9-2/h43H,8-42,48H2,1-7H3,(H,49,52)(H,50,53)