Structure Database (LMSD)
Common Name
N-(2-methoxy-ethyl)-16,16-dimethyl-5Z,8Z,11Z,14Z-docosatetraenoyl amine
Systematic Name
N-(2-methoxy-ethyl)-16,16-dimethyl-5Z,8Z,11Z,14Z-docosatetraenoyl amine
Synonyms
- (16,16-dimethyldocosa-cis-5,8,11,14-tetraenoyl)-2'-methoxyethylamine
3D model of N-(2-methoxy-ethyl)-16,16-dimethyl-5Z,8Z,11Z,14Z-docosatetraenoyl amine
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
KDHDLCAGLCQLAO-RPHFINAJSA-N
InChi (Click to copy)
InChI=1S/C27H47NO2/c1-5-6-7-19-22-27(2,3)23-20-17-15-13-11-9-8-10-12-14-16-18-21-26(29)28-24-25-30-4/h8-9,12-15,20,23H,5-7,10-11,16-19,21-22,24-25H2,1-4H3,(H,28,29)/b9-8-,14-12-,15-13-,23-20-
SMILES (Click to copy)
C(/C/C=C\C/C=C\C(C)(C)CCCCCC)=C/C/C=C\CCCC(=O)NCCOC
References
Calculated Physicochemical Properties
Heavy Atoms
30
Rings
0
Aromatic Rings
0
Rotatable Bonds
19
Van der Waals Molecular Volume
491.04
Topological Polar Surface Area
38.33
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
7.88
Molar Refractivity
132.67
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Created at
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Updated at
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