N-(2-oxobutyl)-n-(2-oxopropyl)nitrous amide (CED0201279)

Record Information

Version

1.0

Creation Date

2026-08-23 18:51:47 UTC

Update Date

2026-08-23 18:51:47 UTC

SynCED ID

CED0201279

Secondary Accession Numbers

CHEM237762

Identification

Common Name

N-(2-oxobutyl)-n-(2-oxopropyl)nitrous amide

Class

Small Molecule

Description

N-(2-oxobutyl)-n-(2-oxopropyl)nitrous amide belongs to the organic nitroso compounds, a subclass of organonitrogen compounds within the organic compounds. This compound has the formula C7H12N2O3 and an average molecular weight of 172.18 g/mol. It is further classified as an organic nitrogen compound.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₇H₁₂N₂O₃

Average Molecular Mass

172.180 g/mol

Monoisotopic Mass

172.085 g/mol

CAS Registry Number

77698-20-5

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C7H12N2O3/c1-3-7(11)5-9(8-12)4-6(2)10/h3-5H2,1-2H3

InChI Key

PMENDGPEYXEHSF-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
1803.0 Log mg/kg [1000:3200]	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
CEDs000580	Manufacture Preparation Of Tobacco Products?The manufacture and preparation of tobacco products involve various processes that can result in the introduction of synthetic chemicals into the environment.	Industrial manufacturing & chemical processing	PubChem
CEDs000642	Footwear?Footwear production often involves the use of various synthetic chemicals, such as adhesives, dyes, and treatments, which can contribute to environmental contamination.	Textiles, leather & furnishings	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
CEDs000744	Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.	Wastewater, sanitation & biosolids	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	Organic anion transporter 3	O88909	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.182 Applicability Domain 0.182 Low confidence Statistical Significance 0.0372 Supporting Reference Compounds 1 E-value 289.288
Click to view 3D structure	Lysine-specific demethylase 2A	Q9Y2K7	Humans	Predicted (SEA)	Prediction Confidence Score 0.174 Applicability Domain 0.242 Low confidence Statistical Significance 0.3123 Supporting Reference Compounds 35 E-value 2431.08
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.168 Applicability Domain 0.182 Low confidence Statistical Significance 0.8528 Supporting Reference Compounds 372 E-value 6639.14
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.168 Applicability Domain 0.182 Low confidence Statistical Significance 0.894 Supporting Reference Compounds 472 E-value 6959.56
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	Prediction Confidence Score 0.168 Applicability Domain 0.182 Low confidence Statistical Significance 0.8348 Supporting Reference Compounds 332 E-value 6498.54
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.168 Applicability Domain 0.182 Low confidence Statistical Significance 0.8606 Supporting Reference Compounds 407 E-value 6699.7
Click to view 3D structure	Tyrosine-protein phosphatase non-receptor type 1	P18031	Humans	Predicted (SEA)	Prediction Confidence Score 0.166 Applicability Domain 0.176 Low confidence Statistical Significance 0.7091 Supporting Reference Compounds 197 E-value 5519.98
Click to view 3D structure	Peroxisome proliferator-activated receptor alpha	Q07869	Humans	Predicted (SEA)	Prediction Confidence Score 0.166 Applicability Domain 0.176 Low confidence Statistical Significance 0.7853 Supporting Reference Compounds 127 E-value 6113.34
Click to view 3D structure	Transient receptor potential cation channel subfamily V member 2	Q9WUD2	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.166 Applicability Domain 0.179 Low confidence Statistical Significance 0.0475 Supporting Reference Compounds 21 E-value 369.706
Click to view 3D structure	Carnitine palmitoyltransferase 1A	Q9MYX2	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.165 Applicability Domain 0.171 Low confidence Statistical Significance 0.0137 Supporting Reference Compounds 2 E-value 106.576
Click to view 3D structure	Histone lysine demethylase PHF8	Q9UPP1	Humans	Predicted (SEA)	Prediction Confidence Score 0.163 Applicability Domain 0.242 Low confidence Statistical Significance 0.1526 Supporting Reference Compounds 14 E-value 1187.98
Click to view 3D structure	Cocaine esterase	O00748	Humans	Predicted (SEA)	Prediction Confidence Score 0.162 Applicability Domain 0.211 Low confidence Statistical Significance 0.36 Supporting Reference Compounds 40 E-value 2802.49
Click to view 3D structure	Peroxisome proliferator-activated receptor delta	Q03181	Humans	Predicted (SEA)	Prediction Confidence Score 0.161 Applicability Domain 0.176 Low confidence Statistical Significance 0.7891 Supporting Reference Compounds 89 E-value 6142.85
Click to view 3D structure	1-deoxy-D-xylulose 5-phosphate reductoisomerase	A0QVH7	Mycobacterium smegmatis (strain ATCC 700084 / mc(2)155)	Predicted (SEA)	Prediction Confidence Score 0.161 Applicability Domain 0.211 Low confidence Statistical Significance 0.0014 Supporting Reference Compounds 4 E-value 10.5875
Click to view 3D structure	Farnesyl pyrophosphate synthase	P14324	Humans	Predicted (SEA)	Prediction Confidence Score 0.16 Applicability Domain 0.186 Low confidence Statistical Significance 0.2221 Supporting Reference Compounds 22 E-value 1728.72
Click to view 3D structure	Liver carboxylesterase	Q29550	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.159 Applicability Domain 0.211 Low confidence Statistical Significance 0.1706 Supporting Reference Compounds 20 E-value 1328.34
Click to view 3D structure	Histone deacetylase 11	Q96DB2	Humans	Predicted (SEA)	Prediction Confidence Score 0.158 Applicability Domain 0.176 Low confidence Statistical Significance 0.8929 Supporting Reference Compounds 149 E-value 6951.16
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P08172	Humans	Predicted (SEA)	Prediction Confidence Score 0.157 Applicability Domain 0.179 Low confidence Statistical Significance 0.9783 Supporting Reference Compounds 373 E-value 7616.38
Click to view 3D structure	1-deoxy-D-xylulose 5-phosphate reductoisomerase	P45568	Escherichia coli (strain K12)	Predicted (SEA)	Prediction Confidence Score 0.157 Applicability Domain 0.211 Low confidence Statistical Significance 0.0542 Supporting Reference Compounds 11 E-value 421.631
Click to view 3D structure	Glutamate--cysteine ligase catalytic subunit	P48506	Humans	Predicted (SEA)	Prediction Confidence Score 0.156 Applicability Domain 0.156 Low confidence Statistical Significance 0.006 Supporting Reference Compounds 1 E-value 46.7095
Click to view 3D structure	1-deoxy-D-xylulose 5-phosphate reductoisomerase	P9WNS1	Mycobacterium tuberculosis	Predicted (SEA)	Prediction Confidence Score 0.155 Applicability Domain 0.211 Low confidence Statistical Significance 0.0425 Supporting Reference Compounds 10 E-value 330.626
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P11229	Humans	Predicted (SEA)	Prediction Confidence Score 0.154 Applicability Domain 0.167 Low confidence Statistical Significance 0.9824 Supporting Reference Compounds 385 E-value 7647.99
Click to view 3D structure	Sodium- and chloride-dependent creatine transporter 1	P48029	Humans	Predicted (SEA)	Prediction Confidence Score 0.194 Applicability Domain 0.194 Low confidence Statistical Significance 8.80e-04 Supporting Reference Compounds 1 E-value 6.85073
Click to view 3D structure	Beta-lactamase VIM-1	Q9XAY4	Pseudomonas aeruginosa	Predicted (SEA)	Prediction Confidence Score 0.194 Applicability Domain 0.194 Low confidence Statistical Significance 7.10e-04 Supporting Reference Compounds 1 E-value 5.52729
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 0.19 Applicability Domain 0.2 Low confidence Statistical Significance 0.0016 Supporting Reference Compounds 2 E-value 12.378