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544-31-0 molecular structure
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N-(2-hydroxyethyl)hexadecanamide

ChemBase ID: 128808
Molecular Formular: C18H37NO2
Molecular Mass: 299.49188
Monoisotopic Mass: 299.28242943
SMILES and InChIs

SMILES:
CCCCCCCCCCCCCCCC(=O)NCCO
Canonical SMILES:
CCCCCCCCCCCCCCCC(=O)NCCO
InChI:
InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)19-16-17-20/h20H,2-17H2,1H3,(H,19,21)
InChIKey:
HXYVTAGFYLMHSO-UHFFFAOYSA-N

Cite this record

CBID:128808 http://www.chembase.cn/molecule-128808.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(2-hydroxyethyl)hexadecanamide
IUPAC Traditional name
palmitoylethanolamide
Synonyms
N-(2-Hydroxyethyl)hexadecanamide
PEA
Palmitoylethanolamide
Hydroxyethylpalmitamide
Palmidrol
N-Palmitoylethanolamine
Palmitylethanolamide
Palmitoylethanolamide
PalMidrol
十六酰胺乙醇
CAS Number
544-31-0
EC Number
208-867-9
MDL Number
MFCD00020562
PubChem SID
162223112
24278619
PubChem CID
4671
CHEMBL
417675
Chemspider ID
4509
KEGG ID
D08328
MeSH Name
palmidrol
Unique Ingredient Identifier
6R8T1UDM3V
Wikipedia Title
Palmitoylethanolamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.463162  H Acceptors
H Donor LogD (pH = 5.5) 4.9832144 
LogD (pH = 7.4) 4.9832144  Log P 4.9832144 
Molar Refractivity 90.0948 cm3 Polarizability 35.714592 Å3
Polar Surface Area 49.33 Å2 Rotatable Bonds 16 
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Bioassay(PubChem)
Apperance
White crystals expand Show data source
Melting Point
59 - 60°C expand Show data source
Boiling Point
461.5°C expand Show data source
Flash Point
323.9 °C expand Show data source
Density
910 mg mL-1 expand Show data source
Partition Coefficient
5.796 expand Show data source
German water hazard class
2 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Storage Temperature
-20°C expand Show data source
Gene Information
human ... CNR1(1268), CNR2(1269)rat ... Faah(29347) expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
Sigma Aldrich - P0359 external link
Biochem/physiol Actions
Endogenous CB2 cannabinoid receptor agonist.
Linkage
Structural analog of anandamide.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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