Structure Database (LMSD)

Common Name
N-stearoyl,N-nonadecanoylethanolamine
Systematic Name
N-octadecanoyl-N-(2-hydroxyethyl)nonadecanamide
Synonyms
LM ID
LMFA08020428
Formula
C39H77NO3
Exact Mass
Calculate m/z
607.590344
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty amides [FA08]
N-acyl amines [FA0802]

References

Comments
Submitted by E. Camera

String Representations

InChiKey (Click to copy)
IGWDVFBJJKKJMI-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C39H77NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39(43)40(36-37-41)38(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h41H,3-37H2,1-2H3
SMILES (Click to copy)
C(CCCCCCCCCCCCCCCCC)(=O)N(C(=O)CCCCCCCCCCCCCCCCCC)CCO

Calculated Physicochemical Properties

Heavy Atoms 43
Rings
Aromatic Rings
Rotatable Bonds 35
Van der Waals Molecular Volume 715.35
Topological Polar Surface Area 57.61
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 12.82
Molar Refractivity 188.49

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Created at
11th Mar 2024
Updated at
6th Nov 2024