N-[3-(dimethylamino)propyl]-10-[2-[8-[3-(dimethylamino)propylamino]-8-oxooctyl]-5,6-dihexylcyclohex-3-en-1-yl]dec-9-enamide (CED0307616)

Record Information

Version

1.0

Creation Date

2026-09-01 04:26:17 UTC

Update Date

2026-09-01 04:26:17 UTC

SynCED ID

CED0307616

Secondary Accession Numbers

CHEM353261

Identification

Common Name

N-[3-(dimethylamino)propyl]-10-[2-[8-[3-(dimethylamino)propylamino]-8-oxooctyl]-5,6-dihexylcyclohex-3-en-1-yl]dec-9-enamide

Class

Small Molecule

Description

N-[3-(dimethylamino)propyl]-10-[2-[8-[3-(dimethylamino)propylamino]-8-oxooctyl]-5,6-dihexylcyclohex-3-en-1-yl]dec-9-enamide is a chemical compound with the formula C46H88N4O2. With an average molecular weight of 729.20 g/mol, N-[3-(dimethylamino)propyl]-10-[2-[8-[3-(dimethylamino)propylamino]-8-oxooctyl]-5,6-dihexylcyclohex-3-en-1-yl]dec-9-enamide is a heavy molecule.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₄₆H₈₈N₄O₂

Average Molecular Mass

Not Available

Monoisotopic Mass

728.691 g/mol

CAS Registry Number

120174-68-7

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CCCCCCC1C=CC(C(C1CCCCCC)C=CCCCCCCCC(=O)NCCCN(C)C)CCCCCCCC(=O)NCCCN(C)C

InChI Identifier

InChI=1S/C46H88N4O2/c1-7-9-11-21-29-41-35-36-42(30-22-17-16-20-26-34-46(52)48-38-28-40-50(5)6)44(43(41)31-23-12-10-8-2)32-24-18-14-13-15-19-25-33-45(51)47-37-27-39-49(3)4/h24,32,35-36,41-44H,7-23,25-31,33-34,37-40H2,1-6H3,(H,47,51)(H,48,52)

InChI Key

MFUARKCVEHMGDO-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
6380.0 Log mg/kg [3600:11000]	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	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	Not Available
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	Not Available
CEDs000609	Aftershave?Aftershave is a grooming product typically used to soothe and protect the skin following shaving.	Personal care & cosmetics	Not Available
CEDs000610	Aftersun Products?Aftersun products are designed to soothe and hydrate the skin after sun exposure, often containing various synthetic chemicals such as emollients, preservatives, and fragrances.	Personal care & cosmetics	Not Available
CEDs000611	Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.	Personal care & cosmetics	Not Available
CEDs000614	Essential Oils Or Perfumes?Essential oils and perfumes are complex mixtures of volatile compounds derived from natural or synthetic sources, commonly used for their aromatic properties.	Personal care & cosmetics	Not Available
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	Not Available
CEDs000617	Lip Care Products?Lip care products, including lipsticks, balms, and glosses, often contain a variety of synthetic chemicals such as parabens, phthalates, and synthetic fragrances.	Personal care & cosmetics	Not Available
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	Not Available
CEDs000619	Manicure Pedicure?Manicure and pedicure procedures often involve the use of various synthetic chemicals, including solvents, nail polishes, and nail adhesives.	Personal care & cosmetics	Not Available
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	Not Available

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	Cannabinoid receptor 1	P20272	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.45 Applicability Domain 0.474 Statistical Significance 0.0015 Supporting Reference Compounds 83 E-value 11.5995
Click to view 3D structure	Cannabinoid receptor 1	P21554	Humans	Predicted (SEA)	Prediction Confidence Score 0.433 Applicability Domain 0.474 Statistical Significance 0.0023 Supporting Reference Compounds 200 E-value 17.9832
Click to view 3D structure	Transient receptor potential cation channel subfamily V member 2	Q9WUD2	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.431 Applicability Domain 0.474 Statistical Significance 7.00e-04 Supporting Reference Compounds 21 E-value 5.44945
Click to view 3D structure	Transient receptor potential cation channel subfamily V member 1	Q8NER1	Humans	Predicted (SEA)	Prediction Confidence Score 0.426 Applicability Domain 0.474 Statistical Significance 0.001 Supporting Reference Compounds 104 E-value 8.09632
Click to view 3D structure	Cannabinoid receptor 2	P34972	Humans	Predicted (SEA)	Prediction Confidence Score 0.412 Applicability Domain 0.473 Statistical Significance 0.0025 Supporting Reference Compounds 175 E-value 19.2288
Click to view 3D structure	Fatty-acid amide hydrolase 1	O00519	Humans	Predicted (SEA)	Prediction Confidence Score 0.382 Applicability Domain 0.431 Statistical Significance 0.003 Supporting Reference Compounds 106 E-value 23.2769
Click to view 3D structure	Fatty-acid amide hydrolase 1	P97612	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.38 Applicability Domain 0.474 Statistical Significance 0.0022 Supporting Reference Compounds 102 E-value 17.2047
Click to view 3D structure	Cannabinoid receptor 2	Q9QZN9	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.374 Applicability Domain 0.431 Statistical Significance 4.40e-04 Supporting Reference Compounds 20 E-value 3.42537
Click to view 3D structure	Cannabinoid receptor 2	P47936	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.356 Applicability Domain 0.431 Statistical Significance 0.0018 Supporting Reference Compounds 39 E-value 14.0129
Click to view 3D structure	Peroxisome proliferator-activated receptor alpha	Q07869	Humans	Predicted (SEA)	Prediction Confidence Score 0.354 Applicability Domain 0.473 Statistical Significance 0.0047 Supporting Reference Compounds 127 E-value 36.9784
Click to view 3D structure	Peroxisome proliferator-activated receptor delta	Q03181	Humans	Predicted (SEA)	Prediction Confidence Score 0.354 Applicability Domain 0.473 Statistical Significance 0.0035 Supporting Reference Compounds 89 E-value 27.3251
Click to view 3D structure	Transient receptor potential cation channel subfamily V member 1	O35433	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.349 Applicability Domain 0.431 Statistical Significance 7.30e-04 Supporting Reference Compounds 21 E-value 5.68299
Click to view 3D structure	Cannabinoid receptor 1	P47746	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.34 Applicability Domain 0.431 Statistical Significance 0.0017 Supporting Reference Compounds 42 E-value 13.3122
Click to view 3D structure	Peroxisome proliferator-activated receptor gamma	P37231	Humans	Predicted (SEA)	Prediction Confidence Score 0.317 Applicability Domain 0.328 Statistical Significance 0.0119 Supporting Reference Compounds 192 E-value 92.6406
Click to view 3D structure	Bifunctional epoxide hydrolase 2	P34914	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.271 Applicability Domain 0.369 Statistical Significance 0.0108 Supporting Reference Compounds 29 E-value 83.9993
Click to view 3D structure	Bifunctional epoxide hydrolase 2	P34913	Humans	Predicted (SEA)	Prediction Confidence Score 0.271 Applicability Domain 0.369 Statistical Significance 0.0387 Supporting Reference Compounds 93 E-value 301.121
Click to view 3D structure	Tyrosine-protein phosphatase non-receptor type 1	P18031	Humans	Predicted (SEA)	Prediction Confidence Score 0.27 Applicability Domain 0.321 Statistical Significance 0.0272 Supporting Reference Compounds 197 E-value 211.594
Click to view 3D structure	Lysophosphatidic acid receptor 3	Q9UBY5	Humans	Predicted (SEA)	Prediction Confidence Score 0.26 Applicability Domain 0.296 Low confidence Statistical Significance 0.0034 Supporting Reference Compounds 21 E-value 26.5466
Click to view 3D structure	Sphingomyelinase C	P11889	Bacillus cereus	Predicted (SEA)	Prediction Confidence Score 0.258 Applicability Domain 0.258 Low confidence Statistical Significance 0.0015 Supporting Reference Compounds 1 E-value 11.9888
Click to view 3D structure	Bifunctional epoxide hydrolase 2	P80299	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.256 Applicability Domain 0.369 Statistical Significance 0.0126 Supporting Reference Compounds 29 E-value 98.3236
Click to view 3D structure	Acidic phospholipase A2 CM-I	P00602	Naja mossambica	Predicted (SEA)	Prediction Confidence Score 0.254 Applicability Domain 0.254 Low confidence Statistical Significance 0.0062 Supporting Reference Compounds 1 E-value 48.6558
Click to view 3D structure	Fatty acid-binding protein, adipocyte	P15090	Humans	Predicted (SEA)	Prediction Confidence Score 0.252 Applicability Domain 0.328 Statistical Significance 0.0035 Supporting Reference Compounds 19 E-value 27.6365
Click to view 3D structure	Nuclear receptor subfamily 4 group A member 2	Q07917	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.251 Applicability Domain 0.267 Low confidence Statistical Significance 9.80e-04 Supporting Reference Compounds 3 E-value 7.62922
Click to view 3D structure	Lysophosphatidic acid receptor 4	Q8BLG2	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.25 Applicability Domain 0.25 Low confidence Statistical Significance 0.0016 Supporting Reference Compounds 1 E-value 12.4559
Click to view 3D structure	Free fatty acid receptor 4	Q5NUL3	Humans	Predicted (SEA)	Prediction Confidence Score 0.248 Applicability Domain 0.328 Statistical Significance 0.0347 Supporting Reference Compounds 63 E-value 270.37