LIPID MAPS

Structure Database (LMSD)

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Common Name

N-(3,4-dimethoxybenzyl)-hexadecanamide

Systematic Name

N-hexadecanoyl 3,4-dimethoxybenzylamine

Synonyms

LM ID

LMFA08020307

Formula

C₂₅H₄₃NO₃

Exact Mass

Calculate m/z

405.324294

Sum Composition

NA 25:4;O2

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Lepidium meyenii (#153348)

Magnoliopsida (#3398)

Macamides from wild ‘Maca’, Lepidium meyenii Walpers (Brassicaceae),
Phytochem Lett, 2014

DOI: 10.1016/j.phytol.2014.03.005

String Representations

InChiKey (Click to copy)

LVPBNUHMEAUHHS-UHFFFAOYSA-N

InChi (Click to copy)

InChI=1S/C25H43NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(27)26-21-22-18-19-23(28-2)24(20-22)29-3/h18-20H,4-17,21H2,1-3H3,(H,26,27)

SMILES (Click to copy)

C(CCCCCCCCCCCCCCC)(=O)NCC1C=CC(OC)=C(OC)C=1

Other Databases

PubChem CID

102235522

Calculated Physicochemical Properties

Heavy Atoms 29

Rings 1

Aromatic Rings 1

Rotatable Bonds 18

Van der Waals Molecular Volume 444.61

Topological Polar Surface Area 47.56

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 4

logP 6.80

Molar Refractivity 121.70

Admin

Created at

16th Dec 2020

Updated at