ChemFOnt: Showing chemical card for 22-hydroxydocosanimidic acid (CFc000140875)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-13 23:17:06 UTC

Chemfont ID

CFc000140875

Molecule Identification

Common Name

22-hydroxydocosanimidic acid

Definition

22-hydroxydocosanimidic acid belongs to the class of organic compounds known as fatty amides. These are carboxylic acid amide derivatives of fatty acids, that are formed from a fatty acid and an amine. Based on a literature review a significant number of articles have been published on 22-hydroxydocosanimidic acid.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
22-Hydroxydocosanimidate	Generator

Chemical Formula

C₂₂H₄₅NO₂

Average Molecular Weight

355.607

Monoisotopic Molecular Weight

355.345029693

IUPAC Name

22-hydroxydocosanimidic acid

Traditional Name

22-hydroxydocosanimidic acid

CAS Registry Number

Not Available

SMILES

OCCCCCCCCCCCCCCCCCCCCCC(O)=N

InChI Identifier

InChI=1S/C22H45NO2/c23-22(25)20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-24/h24H,1-21H2,(H2,23,25)

InChI Key

UXMCCPBEXWLBKW-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as fatty amides. These are carboxylic acid amide derivatives of fatty acids, that are formed from a fatty acid and an amine.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty amides

Direct Parent

Fatty amides

Alternative Parents

Substituents

Fatty amide
Primary carboxylic acid amide
Carboxamide group
Carboxylic acid derivative
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Primary alcohol
Organooxygen compound
Organonitrogen compound
Carbonyl group
Alcohol
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Functional Ontology

Not Available

Not Available

Not Available

Not Available

Physical Properties

Predicted Properties

Property	Value	Source
Water Solubility	7.3e-05 g/L	ALOGPS
logP	7.85	ALOGPS
logP	4.86	ChemAxon
logS	-6.7	ALOGPS
pKa (Strongest Acidic)	0.28	ChemAxon
pKa (Strongest Basic)	13.67	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	64.31 Å²	ChemAxon
Rotatable Bond Count	21	ChemAxon
Refractivity	119.38 m³·mol⁻¹	ChemAxon
Polarizability	48.56 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0160467

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for 22-hydroxydocosanimidic acid (CFc000140875)

MOL for CFc000140875 (22-hydroxydocosanimidic acid)

3D MOL for CFc000140875 (22-hydroxydocosanimidic acid)

3D SDF for CFc000140875 (22-hydroxydocosanimidic acid)

3D-SDF for CFc000140875 (22-hydroxydocosanimidic acid)

PDB for CFc000140875 (22-hydroxydocosanimidic acid)

3D PDB for CFc000140875 (22-hydroxydocosanimidic acid)

SMILES for CFc000140875 (22-hydroxydocosanimidic acid)

INCHI for CFc000140875 (22-hydroxydocosanimidic acid)

Structure for CFc000140875 (22-hydroxydocosanimidic acid)

3D Structure for CFc000140875 (22-hydroxydocosanimidic acid)