Structure Database (LMSD)
Common Name
N-amyl arachidohoyl amine
Systematic Name
N-pentyl-5Z,8Z,11Z,14Z-eicosatetraenoyl amine
Synonyms
- N-amylarachidohoylamide
3D model of N-amyl arachidohoyl amine
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
synthetic construct
(#32630)
Structural requirements for binding of anandamide-type compounds to the brain cannabinoid receptor.,
J Med Chem, 1997
J Med Chem, 1997
Pubmed ID:
9057852
DOI:
10.1021/jm960752x
String Representations
InChiKey (Click to copy)
LLSIFHDREVFSBI-SNPVRQPZSA-N
InChi (Click to copy)
InChI=1S/C25H43NO/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-25(27)26-24-22-6-4-2/h9-10,12-13,15-16,18-19H,3-8,11,14,17,20-24H2,1-2H3,(H,26,27)/b10-9-,13-12-,16-15-,19-18-
SMILES (Click to copy)
C(/C/C=C\C/C=C\CCCCC)=C/C/C=C\CCCC(=O)NCCCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
27
Rings
0
Aromatic Rings
0
Rotatable Bonds
18
Van der Waals Molecular Volume
447.65
Topological Polar Surface Area
29.10
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
7.72
Molar Refractivity
121.43
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