N-[(z)-3-acetamidobut-2-en-2-yl]acetamide (CED0313287)

Record Information

Version

1.0

Creation Date

2026-09-01 12:46:10 UTC

Update Date

2026-09-01 12:46:10 UTC

SynCED ID

CED0313287

Secondary Accession Numbers

CHEM359141

Identification

Common Name

N-[(z)-3-acetamidobut-2-en-2-yl]acetamide

Class

Small Molecule

Description

N-[(z)-3-acetamidobut-2-en-2-yl]acetamide is a chemical compound with the formula C8H14N2O2. It has an average molecular weight of 170.21 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₈H₁₄N₂O₂

Average Molecular Mass

Not Available

Monoisotopic Mass

170.106 g/mol

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CC(=C(C)NC(=O)C)NC(=O)C

InChI Identifier

InChI=1S/C8H14N2O2/c1-5(9-7(3)11)6(2)10-8(4)12/h1-4H3,(H,9,11)(H,10,12)/b6-5-

InChI Key

FTTNHUULIMOCKS-WAYWQWQTSA-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
1866.0 Log mg/kg [1000:3300]	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
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
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
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

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	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.215 Applicability Domain 0.28 Low confidence Statistical Significance 0.4196 Supporting Reference Compounds 472 E-value 3266.48
Click to view 3D structure	Carbonic anhydrase	P46510	Flaveria bidentis	Predicted (SEA)	Prediction Confidence Score 0.212 Applicability Domain 0.212 Low confidence Statistical Significance 0.003 Supporting Reference Compounds 1 E-value 23.2769
Click to view 3D structure	Carbonic anhydrase 7	Q9ERQ8	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.212 Applicability Domain 0.212 Low confidence Statistical Significance 0.003 Supporting Reference Compounds 1 E-value 23.2769
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	Prediction Confidence Score 0.211 Applicability Domain 0.28 Low confidence Statistical Significance 0.3723 Supporting Reference Compounds 332 E-value 2898.25
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.21 Applicability Domain 0.28 Low confidence Statistical Significance 0.4185 Supporting Reference Compounds 407 E-value 3258.15
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	Prediction Confidence Score 0.204 Applicability Domain 0.28 Low confidence Statistical Significance 0.3706 Supporting Reference Compounds 242 E-value 2885.33
Click to view 3D structure	Beta-hexosaminidase	Q9HZK0	Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228)	Predicted (SEA)	Prediction Confidence Score 0.2 Applicability Domain 0.2 Low confidence Statistical Significance 5.90e-04 Supporting Reference Compounds 1 E-value 4.5931
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.197 Applicability Domain 0.214 Low confidence Statistical Significance 0.5533 Supporting Reference Compounds 372 E-value 4307.16
Click to view 3D structure	Lysine-specific demethylase 2A	Q9Y2K7	Humans	Predicted (SEA)	Prediction Confidence Score 0.189 Applicability Domain 0.25 Low confidence Statistical Significance 0.162 Supporting Reference Compounds 35 E-value 1261.0
Click to view 3D structure	Carbonic anhydrase 3	P07451	Humans	Predicted (SEA)	Prediction Confidence Score 0.187 Applicability Domain 0.28 Low confidence Statistical Significance 0.275 Supporting Reference Compounds 64 E-value 2140.93
Click to view 3D structure	Histone lysine demethylase PHF8	Q9UPP1	Humans	Predicted (SEA)	Prediction Confidence Score 0.187 Applicability Domain 0.25 Low confidence Statistical Significance 0.0179 Supporting Reference Compounds 14 E-value 139.35
Click to view 3D structure	Carbonic anhydrase 15	Q99N23	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.187 Applicability Domain 0.28 Low confidence Statistical Significance 0.2706 Supporting Reference Compounds 78 E-value 2106.76
Click to view 3D structure	Carbonic anhydrase 14	Q9ULX7	Humans	Predicted (SEA)	Prediction Confidence Score 0.184 Applicability Domain 0.212 Low confidence Statistical Significance 0.4975 Supporting Reference Compounds 172 E-value 3873.39
Click to view 3D structure	Peptidyl-glycine alpha-amidating monooxygenase	P19021	Humans	Predicted (SEA)	Prediction Confidence Score 0.184 Applicability Domain 0.184 Low confidence Statistical Significance 0.1039 Supporting Reference Compounds 1 E-value 808.698
Click to view 3D structure	Lysine-specific demethylase 5C	P41229	Humans	Predicted (SEA)	Prediction Confidence Score 0.183 Applicability Domain 0.25 Low confidence Statistical Significance 0.2788 Supporting Reference Compounds 45 E-value 2170.83
Click to view 3D structure	Neuraminidase	Q9IGQ6	Influenza A virus (strain A/Brevig Mission/1/1918 H1N1) (Influenza Avirus (strain A/South Carolina/1/1918 H1N1))	Predicted (SEA)	Prediction Confidence Score 0.183 Applicability Domain 0.195 Low confidence Statistical Significance 0.0024 Supporting Reference Compounds 2 E-value 18.606
Click to view 3D structure	72 kDa type IV collagenase	P08253	Humans	Predicted (SEA)	Prediction Confidence Score 0.181 Applicability Domain 0.226 Low confidence Statistical Significance 0.8093 Supporting Reference Compounds 400 E-value 6300.73
Click to view 3D structure	Histone deacetylase 1	Q13547	Humans	Predicted (SEA)	Prediction Confidence Score 0.18 Applicability Domain 0.206 Low confidence Statistical Significance 0.8976 Supporting Reference Compounds 497 E-value 6987.9
Click to view 3D structure	1-deoxy-D-xylulose-5-phosphate synthase	B7UJP3	Escherichia coli O127:H6 (strain E2348/69 / EPEC)	Predicted (SEA)	Prediction Confidence Score 0.179 Applicability Domain 0.192 Low confidence Statistical Significance 0.0023 Supporting Reference Compounds 2 E-value 18.2946
Click to view 3D structure	Dihydroxyacetone phosphate acyltransferase	O15228	Humans	Predicted (SEA)	Prediction Confidence Score 0.179 Applicability Domain 0.179 Low confidence Statistical Significance 0.0176 Supporting Reference Compounds 1 E-value 136.781
Click to view 3D structure	Palmitoyltransferase ZDHHC7	Q9NXF8	Humans	Predicted (SEA)	Prediction Confidence Score 0.179 Applicability Domain 0.179 Low confidence Statistical Significance 0.0073 Supporting Reference Compounds 1 E-value 56.9078
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P08172	Humans	Predicted (SEA)	Prediction Confidence Score 0.179 Applicability Domain 0.192 Low confidence Statistical Significance 0.8897 Supporting Reference Compounds 373 E-value 6926.17
Click to view 3D structure	Muscarinic acetylcholine receptor M4	P08173	Humans	Predicted (SEA)	Prediction Confidence Score 0.179 Applicability Domain 0.192 Low confidence Statistical Significance 0.8318 Supporting Reference Compounds 297 E-value 6475.81
Click to view 3D structure	Myoglobin	P02144	Humans	Predicted (SEA)	Prediction Confidence Score 0.178 Applicability Domain 0.28 Low confidence Statistical Significance 0.0038 Supporting Reference Compounds 2 E-value 29.2713
Click to view 3D structure	Neuraminidase	P03474	Influenza B virus (strain B/Lee/1940)	Predicted (SEA)	Prediction Confidence Score 0.176 Applicability Domain 0.195 Low confidence Statistical Significance 0.0202 Supporting Reference Compounds 13 E-value 157.1