4-chloro-n-(2-morpholin-4-ylethyl)-2-prop-2-enoxybenzamide (CED0253868)

Record Information

Version

1.0

Creation Date

2026-08-28 19:44:09 UTC

Update Date

2026-08-28 19:44:09 UTC

SynCED ID

CED0253868

Secondary Accession Numbers

CHEM298545

Identification

Common Name

4-chloro-n-(2-morpholin-4-ylethyl)-2-prop-2-enoxybenzamide

Class

Small Molecule

Description

4-chloro-n-(2-morpholin-4-ylethyl)-2-prop-2-enoxybenzamide belongs to the benzoic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the chemical formula C16H21ClN2O3 and an average molecular weight of 324.80 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₆H₂₁ClN₂O₃

Average Molecular Mass

Not Available

Monoisotopic Mass

324.124 g/mol

CAS Registry Number

28046-03-9

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

C=CCOC1=C(C=CC(=C1)Cl)C(=O)NCCN2CCOCC2

InChI Identifier

InChI=1S/C16H21ClN2O3/c1-2-9-22-15-12-13(17)3-4-14(15)16(20)18-5-6-19-7-10-21-11-8-19/h2-4,12H,1,5-11H2,(H,18,20)

InChI Key

NEHGSNUYCSUDMZ-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
159.0 Log mg/kg [90:280]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000524	Hybrid Capacitors?Hybrid capacitors are energy storage devices that combine the properties of electrolytic and supercapacitors, utilizing a combination of electrochemical principles to achieve higher energy density and power density.	Electrical & Electronic Equipment	PubChem
CEDs000629	Swings?Swings, commonly found in playgrounds and recreational areas, are often constructed using synthetic materials such as plastics and rubber composites.	Recreation & sports surfaces	PubChem
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	PubChem
CEDs000740	Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.	Paper, pulp & fiber products	PubChem

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	B-cell lymphoma 3 protein	P20749	Humans	Predicted (SEA)	Prediction Confidence Score 0.431 Applicability Domain 0.431 Statistical Significance 1.00e-04 Supporting Reference Compounds 1 E-value 0.778492
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q99720	Humans	Predicted (SEA)	Prediction Confidence Score 0.36 Applicability Domain 0.556 Statistical Significance 0.0223 Supporting Reference Compounds 562 E-value 173.837
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P08908	Humans	Predicted (SEA)	Prediction Confidence Score 0.357 Applicability Domain 0.556 Statistical Significance 0.0284 Supporting Reference Compounds 953 E-value 221.325
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P19327	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.353 Applicability Domain 0.386 Statistical Significance 0.0224 Supporting Reference Compounds 541 E-value 174.071
Click to view 3D structure	D(2) dopamine receptor	P14416	Humans	Predicted (SEA)	Prediction Confidence Score 0.351 Applicability Domain 0.386 Statistical Significance 0.0388 Supporting Reference Compounds 1103 E-value 302.133
Click to view 3D structure	Amine oxidase [flavin-containing] B	P27338	Humans	Predicted (SEA)	Prediction Confidence Score 0.34 Applicability Domain 0.556 Statistical Significance 0.0158 Supporting Reference Compounds 315 E-value 123.235
Click to view 3D structure	D(4) dopamine receptor	P21917	Humans	Predicted (SEA)	Prediction Confidence Score 0.337 Applicability Domain 0.386 Statistical Significance 0.0281 Supporting Reference Compounds 524 E-value 218.601
Click to view 3D structure	D(3) dopamine receptor	P19020	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.331 Applicability Domain 0.386 Statistical Significance 0.0136 Supporting Reference Compounds 145 E-value 105.641
Click to view 3D structure	Tumor necrosis factor receptor superfamily member 16	Q9Z0W1	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.328 Applicability Domain 0.328 Statistical Significance 2.00e-04 Supporting Reference Compounds 1 E-value 1.55698
Click to view 3D structure	D(2) dopamine receptor	P61169	Rat	Predicted (SEA)	Prediction Confidence Score 0.328 Applicability Domain 0.365 Statistical Significance 0.0338 Supporting Reference Compounds 528 E-value 263.442
Click to view 3D structure	Sigma intracellular receptor 2	Q5BJF2	Humans	Predicted (SEA)	Prediction Confidence Score 0.327 Applicability Domain 0.556 Statistical Significance 0.0186 Supporting Reference Compounds 308 E-value 144.644
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P14842	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.326 Applicability Domain 0.385 Statistical Significance 0.0246 Supporting Reference Compounds 380 E-value 191.353
Click to view 3D structure	Plasma membrane ATPase 1	P05030	Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast)	Predicted (SEA)	Prediction Confidence Score 0.323 Applicability Domain 0.323 Statistical Significance 2.30e-04 Supporting Reference Compounds 1 E-value 1.79053
Click to view 3D structure	Mast/stem cell growth factor receptor Kit	P10721	Humans	Predicted (SEA)	Prediction Confidence Score 0.322 Applicability Domain 0.353 Statistical Significance 0.0677 Supporting Reference Compounds 905 E-value 527.039
Click to view 3D structure	Proto-oncogene tyrosine-protein kinase Src	P12931	Humans	Predicted (SEA)	Prediction Confidence Score 0.322 Applicability Domain 0.341 Statistical Significance 0.0786 Supporting Reference Compounds 1158 E-value 611.895
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P08909	Rat	Predicted (SEA)	Prediction Confidence Score 0.321 Applicability Domain 0.385 Statistical Significance 0.0166 Supporting Reference Compounds 185 E-value 129.074
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	Prediction Confidence Score 0.321 Applicability Domain 0.364 Statistical Significance 0.1074 Supporting Reference Compounds 1498 E-value 836.101
Click to view 3D structure	Mitogen-activated protein kinase 14	Q16539	Humans	Predicted (SEA)	Prediction Confidence Score 0.32 Applicability Domain 0.341 Statistical Significance 0.0554 Supporting Reference Compounds 668 E-value 431.518
Click to view 3D structure	Epidermal growth factor receptor	P00533	Humans	Predicted (SEA)	Prediction Confidence Score 0.318 Applicability Domain 0.341 Statistical Significance 0.093 Supporting Reference Compounds 1301 E-value 724.076
Click to view 3D structure	D(4) dopamine receptor	P30729	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.318 Applicability Domain 0.386 Statistical Significance 0.0117 Supporting Reference Compounds 92 E-value 91.2393
Click to view 3D structure	D(3) dopamine receptor	P35462	Humans	Predicted (SEA)	Prediction Confidence Score 0.31 Applicability Domain 0.32 Statistical Significance 0.0576 Supporting Reference Compounds 861 E-value 448.723
Click to view 3D structure	Mitogen-activated protein kinase 8	P45983	Humans	Predicted (SEA)	Prediction Confidence Score 0.307 Applicability Domain 0.353 Statistical Significance 0.0821 Supporting Reference Compounds 782 E-value 639.298
Click to view 3D structure	Glycogen synthase kinase-3 alpha	P49840	Humans	Predicted (SEA)	Prediction Confidence Score 0.306 Applicability Domain 0.341 Statistical Significance 0.0807 Supporting Reference Compounds 754 E-value 628.243
Click to view 3D structure	Hepatocyte growth factor receptor	P08581	Humans	Predicted (SEA)	Prediction Confidence Score 0.306 Applicability Domain 0.341 Statistical Significance 0.0891 Supporting Reference Compounds 934 E-value 693.559
Click to view 3D structure	Receptor tyrosine-protein kinase erbB-2	P04626	Humans	Predicted (SEA)	Prediction Confidence Score 0.306 Applicability Domain 0.341 Statistical Significance 0.0748 Supporting Reference Compounds 674 E-value 582.234