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

Classification

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Lepidium meyenii (#153348)
Magnoliopsida (#3398)
Macamides from wild ‘Maca’, Lepidium meyenii Walpers (Brassicaceae),
Phytochem Letts, 2014

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