[3-(ethoxycarbonylamino)phenyl] n-(3-methylphenyl)carbamate (CED0052820)

Record Information

Version

1.0

Creation Date

2026-08-19 20:00:05 UTC

Update Date

2026-08-19 20:00:05 UTC

SynCED ID

CED0052820

Secondary Accession Numbers

CHEM192614

Identification

Common Name

[3-(ethoxycarbonylamino)phenyl] n-(3-methylphenyl)carbamate

Class

Small Molecule

Description

[3-(ethoxycarbonylamino)phenyl] n-(3-methylphenyl)carbamate belongs to the phenylcarbamic acid esters, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the formula C17H18N2O4 and an average molecular weight of 314.34 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₇H₁₈N₂O₄

Average Molecular Mass

314.340 g/mol

Monoisotopic Mass

314.127 g/mol

CAS Registry Number

13684-44-1

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C17H18N2O4/c1-3-22-16(20)18-14-8-5-9-15(11-14)23-17(21)19-13-7-4-6-12(2)10-13/h4-11H,3H2,1-2H3,(H,18,20)(H,19,21)

InChI Key

MVEFZZKZBYQFPP-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
1576.0 Log mg/kg [890:2800]	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
CEDs000010	Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.	Agriculture & land management	PubChem
CEDs000545	Food Preservation?Food preservation often involves the use of synthetic chemicals, such as preservatives, flavor enhancers, and color additives, to extend shelf life and enhance the sensory qualities of food products.	Food, food processing & cookware	PubChem
CEDs000561	Perfumes Within Detergents And Soaps?Perfumes within detergents and soaps are synthetic fragrance compounds added to enhance the sensory experience of cleaning products.	Household cleaning & consumer products	PubChem
CEDs000596	Acaricides?Acaricides are synthetic chemicals specifically designed to target and control mite populations that can damage crops and plants.	Agriculture & land management	PubChem
CEDs000600	Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.	Agriculture & land management	PubChem
CEDs000602	Molluscicides?Molluscicides are synthetic chemicals specifically designed to control and eliminate mollusks, such as snails and slugs, which can be detrimental to crops and agricultural productivity.	Agriculture & land management	PubChem
CEDs000603	Nematocides?Nematocides are synthetic chemicals specifically designed to control nematodes, which are microscopic roundworms that can cause significant damage to crops and plants.	Agriculture & land management	PubChem
CEDs000605	Pest Repellants?Pest repellents, often formulated from synthetic chemicals, are widely used to protect crops from insect infestations and other pests.	Agriculture & land management	PubChem
CEDs000606	Plant Growth Regulators?Plant Growth Regulators (PGRs) are synthetic chemicals designed to influence the growth and development of plants.	Agriculture & land management	PubChem
CEDs000615	Eye Makeup Products?Eye makeup products, including mascaras, eyeliners, and eyeshadows, often contain a variety of synthetic chemicals such as pigments, preservatives, and film-forming agents.	Personal care & cosmetics	PubChem
CEDs000618	Lip Makeup Products?Lip makeup products, such as lipsticks, lip glosses, and lip liners, often contain a variety of synthetic chemicals, including pigments, preservatives, and emollients.	Personal care & cosmetics	PubChem
CEDs000632	Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.	Textiles, leather & furnishings	PubChem
CEDs000678	Nitrogenous Fertilisers?Nitrogenous fertilizers are synthetic chemical compounds primarily used to enhance plant growth by supplying essential nitrogen, a crucial nutrient for photosynthesis and protein synthesis.	Agriculture & land management	PubChem
CEDs000679	Phosphatic Fertilisers?Phosphatic fertilizers are synthetic chemical products primarily composed of phosphorus, which is essential for plant growth.	Agriculture & land management	PubChem
CEDs000739	Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.	Paper, pulp & fiber products	PubChem
CEDs000741	Pigment Pastes?Pigment pastes are concentrated dispersions of pigments used to impart color and properties to materials.	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	Acidic phospholipase A2 CM-I	P00602	Naja mossambica	Predicted (SEA)	Prediction Confidence Score 0.281 Applicability Domain 0.281 Low confidence Statistical Significance 0.0029 Supporting Reference Compounds 1 E-value 22.5763
Click to view 3D structure	Cholinesterase	P81908	Equus caballus	Predicted (SEA)	Prediction Confidence Score 0.257 Applicability Domain 0.291 Low confidence Statistical Significance 0.0774 Supporting Reference Compounds 201 E-value 602.242
Click to view 3D structure	Acetylcholinesterase	P22303	Humans	Predicted (SEA)	Prediction Confidence Score 0.251 Applicability Domain 0.291 Low confidence Statistical Significance 0.163 Supporting Reference Compounds 406 E-value 1269.25
Click to view 3D structure	Pyruvate carboxylase	A0A0H3JRU9	Staphylococcus aureus (strain Mu50 / ATCC 700699)	Predicted (SEA)	Prediction Confidence Score 0.25 Applicability Domain 0.25 Low confidence Statistical Significance 0.0026 Supporting Reference Compounds 1 E-value 20.0072
Click to view 3D structure	Butyrylcholinesterase	Q9N1N9	Equus caballus	Predicted (SEA)	Prediction Confidence Score 0.249 Applicability Domain 0.291 Low confidence Statistical Significance 0.0178 Supporting Reference Compounds 44 E-value 138.961
Click to view 3D structure	Cholinesterase	P06276	Humans	Predicted (SEA)	Prediction Confidence Score 0.247 Applicability Domain 0.291 Low confidence Statistical Significance 0.1146 Supporting Reference Compounds 234 E-value 891.841
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	Prediction Confidence Score 0.24 Applicability Domain 0.275 Low confidence Statistical Significance 0.658 Supporting Reference Compounds 1498 E-value 5122.56
Click to view 3D structure	Protein RecA	P9WHJ3	Mycobacterium tuberculosis	Predicted (SEA)	Prediction Confidence Score 0.237 Applicability Domain 0.273 Low confidence Statistical Significance 0.1684 Supporting Reference Compounds 296 E-value 1311.29
Click to view 3D structure	Potassium channel subfamily K member 3	O14649	Humans	Predicted (SEA)	Prediction Confidence Score 0.236 Applicability Domain 0.283 Low confidence Statistical Significance 0.0356 Supporting Reference Compounds 15 E-value 277.065
Click to view 3D structure	Potassium channel subfamily K member 9	Q9NPC2	Humans	Predicted (SEA)	Prediction Confidence Score 0.236 Applicability Domain 0.283 Low confidence Statistical Significance 0.0273 Supporting Reference Compounds 10 E-value 212.606
Click to view 3D structure	Long-chain-fatty-acid--CoA ligase 1	P41216	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.236 Applicability Domain 0.236 Low confidence Statistical Significance 0.0112 Supporting Reference Compounds 2 E-value 87.4247
Click to view 3D structure	Heat shock factor protein 1	P38532	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.236 Applicability Domain 0.273 Low confidence Statistical Significance 0.1256 Supporting Reference Compounds 166 E-value 977.63
Click to view 3D structure	Cytochrome P450 2C19	P33261	Humans	Predicted (SEA)	Prediction Confidence Score 0.235 Applicability Domain 0.291 Low confidence Statistical Significance 0.5526 Supporting Reference Compounds 825 E-value 4302.1
Click to view 3D structure	Amine oxidase [flavin-containing] B	P19643	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.233 Applicability Domain 0.258 Low confidence Statistical Significance 0.0631 Supporting Reference Compounds 77 E-value 491.306
Click to view 3D structure	Amine oxidase [flavin-containing] A	P21396	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.232 Applicability Domain 0.258 Low confidence Statistical Significance 0.0493 Supporting Reference Compounds 66 E-value 384.03
Click to view 3D structure	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 4	Q9Y237	Humans	Predicted (SEA)	Prediction Confidence Score 0.231 Applicability Domain 0.231 Low confidence Statistical Significance 0.0034 Supporting Reference Compounds 1 E-value 26.7023
Click to view 3D structure	Sodium-dependent serotonin transporter	P31652	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.23 Applicability Domain 0.291 Low confidence Statistical Significance 0.1835 Supporting Reference Compounds 297 E-value 1428.84
Click to view 3D structure	Sodium-dependent serotonin transporter	P31645	Humans	Predicted (SEA)	Prediction Confidence Score 0.229 Applicability Domain 0.291 Low confidence Statistical Significance 0.3816 Supporting Reference Compounds 593 E-value 2970.41
Click to view 3D structure	5-hydroxytryptamine receptor 2B	P41595	Humans	Predicted (SEA)	Prediction Confidence Score 0.228 Applicability Domain 0.291 Low confidence Statistical Significance 0.4612 Supporting Reference Compounds 686 E-value 3590.17
Click to view 3D structure	Prostaglandin G/H synthase 1	P05979	Ovis aries	Predicted (SEA)	Prediction Confidence Score 0.228 Applicability Domain 0.243 Low confidence Statistical Significance 0.1039 Supporting Reference Compounds 106 E-value 808.776
Click to view 3D structure	Fatty-acid amide hydrolase 1	P97612	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.227 Applicability Domain 0.243 Low confidence Statistical Significance 0.1276 Supporting Reference Compounds 102 E-value 993.59
Click to view 3D structure	Beta-1 adrenergic receptor	B0FL73	Cavia porcellus	Predicted (SEA)	Prediction Confidence Score 0.226 Applicability Domain 0.302 Statistical Significance 0.0162 Supporting Reference Compounds 37 E-value 126.427
Click to view 3D structure	Beta-2 adrenergic receptor	Q8K4Z4	Cavia porcellus	Predicted (SEA)	Prediction Confidence Score 0.226 Applicability Domain 0.302 Statistical Significance 0.0192 Supporting Reference Compounds 48 E-value 149.626
Click to view 3D structure	Tyrosine-protein kinase JAK2	O60674	Humans	Predicted (SEA)	Prediction Confidence Score 0.226 Applicability Domain 0.273 Low confidence Statistical Significance 0.6286 Supporting Reference Compounds 1022 E-value 4893.6
Click to view 3D structure	Mu-type opioid receptor	P35372	Humans	Predicted (SEA)	Prediction Confidence Score 0.225 Applicability Domain 0.234 Low confidence Statistical Significance 0.4092 Supporting Reference Compounds 527 E-value 3185.36