Structure Database (LMSD)

Common Name
Lauroyl diethanolamide
Systematic Name
N,N-bis(2-hydroxyethyl)dodecanamide
Synonyms
  • LDEA
LM ID
LMFA08040058
Formula
C16H33NO3
Exact Mass
Calculate m/z
287.246044
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty amides [FA08]
N-acyl ethanolamines (endocannabinoids) [FA0804]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
synthetic construct (#32630)
Lipase-catalyzed synthesis of fatty acid diethanolamides.,
J Agric Food Chem, 2001
Pubmed ID: 11743760

String Representations

InChiKey (Click to copy)
AOMUHOFOVNGZAN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=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
SMILES (Click to copy)
O=C(CCCCCCCCCCC)N(CCO)CCO

Other Databases

HMDB ID
HMDB0032358
CHEBI ID
143726
PubChem CID
8430

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 320.09
Topological Polar Surface Area 60.77
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 3.86
Molar Refractivity 84.56

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Created at
-
Updated at
6th Feb 2024