[2-(diethylamino)-2-oxoethyl] 2-methoxybenzoate (CED0170545)

Record Information

Version

1.0

Creation Date

2026-08-19 06:45:16 UTC

Update Date

2026-08-19 06:45:16 UTC

SynCED ID

CED0170545

Secondary Accession Numbers

CHEM180166

Identification

Common Name

[2-(diethylamino)-2-oxoethyl] 2-methoxybenzoate

Class

Small Molecule

Description

[2-(diethylamino)-2-oxoethyl] 2-methoxybenzoate belongs to the benzoic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. This compound has the chemical formula C14H19NO4 and an average molecular weight of 265.30 g/mol. It is categorized under the superclass of benzenoids. This substance has been found in or released from two recorded sources, specifically electrical and electronic equipment such as antennas and radio transmission systems.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₄H₁₉NO₄

Average Molecular Mass

265.300 g/mol

Monoisotopic Mass

265.131 g/mol

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C14H19NO4/c1-4-15(5-2)13(16)10-19-14(17)11-8-6-7-9-12(11)18-3/h6-9H,4-5,10H2,1-3H3

InChI Key

SEPWMHLKOLXHFG-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
2290.0 Log mg/kg [1300:4100]	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
CEDs000506	Antennas?Antennas, commonly used in communication technologies, can be a source of synthetic chemical contamination through the materials and coatings used in their construction.	Electrical & Electronic Equipment	PubChem
CEDs000530	Radio Transmission Systems?Radio transmission systems utilize a variety of synthetic chemicals in their manufacturing and maintenance processes.	Electrical & Electronic Equipment	PubChem
CEDs000592	Marine Propulsion Or Steering?Marine propulsion and steering systems often rely on various synthetic chemicals, including lubricants, fuels, and hydraulic fluids.	Marine, shipping & aquaculture	PubChem
CEDs000699	Mining Or Quarrying?Mining and quarrying operations can lead to synthetic chemical contamination through the release of various pollutants associated with the extraction and processing of minerals.	Mining & metal processing	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	Transcription factor EB	P19484	Humans	Predicted (SEA)	Prediction Confidence Score 0.333 Applicability Domain 0.333 Statistical Significance 6.40e-04 Supporting Reference Compounds 1 E-value 4.98235
Click to view 3D structure	Tegument protein VP16	P06492	Herpes simplex virus (type 1 / strain 17)	Predicted (SEA)	Prediction Confidence Score 0.319 Applicability Domain 0.408 Statistical Significance 5.70e-04 Supporting Reference Compounds 75 E-value 4.43741
Click to view 3D structure	Acetylcholinesterase	P22303	Humans	Predicted (SEA)	Prediction Confidence Score 0.318 Applicability Domain 0.333 Statistical Significance 0.0271 Supporting Reference Compounds 406 E-value 211.049
Click to view 3D structure	Amine oxidase [flavin-containing] B	P27338	Humans	Predicted (SEA)	Prediction Confidence Score 0.309 Applicability Domain 0.34 Statistical Significance 0.0287 Supporting Reference Compounds 315 E-value 223.116
Click to view 3D structure	Streptokinase A	P10520	Streptococcus pyogenes serotype M1	Predicted (SEA)	Prediction Confidence Score 0.306 Applicability Domain 0.333 Statistical Significance 0.0174 Supporting Reference Compounds 425 E-value 135.302
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	Prediction Confidence Score 0.304 Applicability Domain 0.343 Statistical Significance 0.0288 Supporting Reference Compounds 332 E-value 224.361
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	Prediction Confidence Score 0.301 Applicability Domain 0.343 Statistical Significance 0.0204 Supporting Reference Compounds 242 E-value 158.657
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.3 Applicability Domain 0.343 Statistical Significance 0.0349 Supporting Reference Compounds 372 E-value 271.616
Click to view 3D structure	DNA damage-inducible transcript 3 protein	P35639	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.3 Applicability Domain 0.333 Statistical Significance 0.0079 Supporting Reference Compounds 226 E-value 61.1895
Click to view 3D structure	X-box-binding protein 1	P17861	Humans	Predicted (SEA)	Prediction Confidence Score 0.3 Applicability Domain 0.333 Statistical Significance 0.0079 Supporting Reference Compounds 227 E-value 61.1895
Click to view 3D structure	Induced myeloid leukemia cell differentiation protein Mcl-1	Q07820	Humans	Predicted (SEA)	Prediction Confidence Score 0.3 Applicability Domain 0.319 Statistical Significance 0.0204 Supporting Reference Compounds 343 E-value 158.89
Click to view 3D structure	Carbonic anhydrase 14	Q9ULX7	Humans	Predicted (SEA)	Prediction Confidence Score 0.299 Applicability Domain 0.343 Statistical Significance 0.0159 Supporting Reference Compounds 172 E-value 124.014
Click to view 3D structure	Protein RecA	P9WHJ3	Mycobacterium tuberculosis	Predicted (SEA)	Prediction Confidence Score 0.299 Applicability Domain 0.333 Statistical Significance 0.0114 Supporting Reference Compounds 296 E-value 89.0595
Click to view 3D structure	Heat shock factor protein 1	P38532	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.298 Applicability Domain 0.317 Statistical Significance 0.0086 Supporting Reference Compounds 166 E-value 66.7946
Click to view 3D structure	Protein-tyrosine kinase 2-beta	Q14289	Humans	Predicted (SEA)	Prediction Confidence Score 0.298 Applicability Domain 0.408 Statistical Significance 0.0611 Supporting Reference Compounds 414 E-value 475.659
Click to view 3D structure	Acetylcholinesterase	O42275	Electrophorus electricus	Predicted (SEA)	Prediction Confidence Score 0.297 Applicability Domain 0.316 Statistical Significance 0.0259 Supporting Reference Compounds 206 E-value 201.941
Click to view 3D structure	Acetylcholinesterase	P37136	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.297 Applicability Domain 0.316 Statistical Significance 0.0136 Supporting Reference Compounds 95 E-value 105.564
Click to view 3D structure	Peregrin	P55201	Humans	Predicted (SEA)	Prediction Confidence Score 0.295 Applicability Domain 0.333 Statistical Significance 0.0045 Supporting Reference Compounds 47 E-value 35.11
Click to view 3D structure	Cholinesterase	P81908	Equus caballus	Predicted (SEA)	Prediction Confidence Score 0.293 Applicability Domain 0.333 Statistical Significance 0.0298 Supporting Reference Compounds 201 E-value 231.835
Click to view 3D structure	Nuclear receptor coactivator 3	Q9Y6Q9	Humans	Predicted (SEA)	Prediction Confidence Score 0.292 Applicability Domain 0.408 Statistical Significance 7.90e-04 Supporting Reference Compounds 41 E-value 6.15009
Click to view 3D structure	Membrane-bound transcription factor site-1 protease	Q14703	Humans	Predicted (SEA)	Prediction Confidence Score 0.29 Applicability Domain 0.29 Low confidence Statistical Significance 8.70e-04 Supporting Reference Compounds 1 E-value 6.77288
Click to view 3D structure	D(2) dopamine receptor	P14416	Humans	Predicted (SEA)	Prediction Confidence Score 0.289 Applicability Domain 0.31 Statistical Significance 0.114 Supporting Reference Compounds 1103 E-value 887.559
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.289 Applicability Domain 0.343 Statistical Significance 0.0603 Supporting Reference Compounds 472 E-value 469.82
Click to view 3D structure	D(3) dopamine receptor	P35462	Humans	Predicted (SEA)	Prediction Confidence Score 0.287 Applicability Domain 0.31 Statistical Significance 0.095 Supporting Reference Compounds 861 E-value 739.801
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P08172	Humans	Predicted (SEA)	Prediction Confidence Score 0.286 Applicability Domain 0.327 Statistical Significance 0.0408 Supporting Reference Compounds 373 E-value 317.469