Structure Database (LMSD)
Common Name
Macamide
Systematic Name
N-(5-oxo-6E,8E-octadecadienoyl) benzylamine
Synonyms
- N-benzyl-5-oxo-6E,8E-octadecadienamide
3D model of Macamide
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
String Representations
InChiKey (Click to copy)
DKMGVACNAAKVRR-MRBSYODNSA-N
InChi (Click to copy)
InChI=1S/C25H37NO2/c1-2-3-4-5-6-7-8-9-10-11-15-19-24(27)20-16-21-25(28)26-22-23-17-13-12-14-18-23/h10-15,17-19H,2-9,16,20-22H2,1H3,(H,26,28)/b11-10+,19-15+
SMILES (Click to copy)
C(C1C=CC=CC=1)NC(CCCC(=O)/C=C/C=C/CCCCCCCCC)=O
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
28
Rings
1
Aromatic Rings
1
Rotatable Bonds
16
Van der Waals Molecular Volume
427.90
Topological Polar Surface Area
46.17
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
6.30
Molar Refractivity
118.04
Admin
Created at
-
Updated at
16th Dec 2020