Structure Database (LMSD)
Common Name
N-(3,4-dimethoxybenzyl)-9Z-oleamide
Systematic Name
N-(9Z-octadecenoyl) 3,4-dimethoxybenzylamine
Synonyms
LM ID
LMFA08020308
Formula
Exact Mass
Calculate m/z
431.339944
Sum Composition
Status
Active
3D model of N-(3,4-dimethoxybenzyl)-9Z-oleamide
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)
SHCXGMBOOJQZSX-QXMHVHEDSA-N
InChi (Click to copy)
InChI=1S/C27H45NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27(29)28-23-24-20-21-25(30-2)26(22-24)31-3/h11-12,20-22H,4-10,13-19,23H2,1-3H3,(H,28,29)/b12-11-
SMILES (Click to copy)
C(C1C=CC(OC)=C(OC)C=1)NC(CCCCCCC/C=C\CCCCCCCC)=O
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
31
Rings
1
Aromatic Rings
1
Rotatable Bonds
19
Van der Waals Molecular Volume
476.57
Topological Polar Surface Area
47.56
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
4
logP
7.36
Molar Refractivity
130.84
Admin
Created at
16th Dec 2020
Updated at
16th Dec 2020