Structure Database (LMSD)

Common Name
N-benzyltetracosanamide
Systematic Name
N-tetracosanoyl benzylamine
Synonyms
  • macamide
LM ID
LMFA08020306
Formula
C31H55NO
Exact Mass
Calculate m/z
457.428364
Sum Composition
NA 31:4
Status
Curated
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

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Lepidium meyenii (#153348)
Magnoliopsida (#3398)
Macamides from wild ‘Maca’, Lepidium meyenii Walpers (Brassicaceae),
Phytochem Letts, 2014

String Representations

InChiKey (Click to copy)
CDEYCNHJOZECQY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C31H55NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-28-31(33)32-29-30-26-23-22-24-27-30/h22-24,26-27H,2-21,25,28-29H2,1H3,(H,32,33)
SMILES (Click to copy)
C(CCCCCCCCCCCCCCCCCCCCCCC)(=O)NCC1C=CC=CC=1

Other Databases

PubChem CID
102235523

Calculated Physicochemical Properties

Heavy Atoms 33
Rings 1
Aromatic Rings 1
Rotatable Bonds 24
Van der Waals Molecular Volume 530.83
Topological Polar Surface Area 29.10
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 9.90
Molar Refractivity 145.54

Admin

Created at
16th Dec 2020
Updated at
11th May 2021