Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA08040058
Common NameLauroyl diethanolamide
Systematic NameN,N-bis(2-hydroxyethyl)dodecanamide
Synonyms-
Exact Mass
287.2460 (neutral)    Calculate m/z:
FormulaC16H33NO3
CategoryFatty Acyls [FA]
Main ClassFatty amides [FA08]
Sub ClassN-acyl ethanolamines (endocannabinoids) [FA0804]
PubChem CID8430
HMDB IDHMDB0032358
InChIKeyAOMUHOFOVNGZAN-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C16H33NO3/c1-2-3-4-5-6-7-8-9-10-11-16(20)17(12-14-18)13-15-19/h18-19H,2
-15H2,1H3
SMILESO=C(CCCCCCCCCCC)N(CCO)CCO
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms20Rings0Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
320.09Topological Polar
Surface Area
60.77Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
4
 logP3.86Molar
Refractivity
84.56