Structure Database (LMSD)
Common Name
N-Oleoyl Dopamine
Systematic Name
N-[2-(3,4-dihydroxyphenyl)ethyl]-9Z-octadecenamide
Synonyms
- OLDA
LM ID
LMFA08020140
Formula
Exact Mass
Calculate m/z
417.324294
Sum Composition
Status
Active
3D model of N-Oleoyl Dopamine
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)
QQBPLXNESPTPNU-KTKRTIGZSA-N
InChi (Click to copy)
InChI=1S/C26H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(30)27-21-20-23-18-19-24(28)25(29)22-23/h9-10,18-19,22,28-29H,2-8,11-17,20-21H2,1H3,(H,27,30)/b10-9-
SMILES (Click to copy)
C(CCC/C=C\CCCCCCCC)CCCC(=O)NCCC1=CC(O)=C(O)C=C1
References
Calculated Physicochemical Properties
Heavy Atoms
30
Rings
1
Aromatic Rings
1
Rotatable Bonds
18
Van der Waals Molecular Volume
459.27
Topological Polar Surface Area
69.56
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
4
logP
7.08
Molar Refractivity
126.43
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Created at
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Updated at
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