(1R,2S,5R)-N-(4-Methoxyphenyl)-5-methyl-2-(1-methylethyl)-cyclohexanecarboxamide (CED0053177)

Record Information

Version

1.0

Creation Date

2026-04-06 11:34:09 UTC

Update Date

2026-04-06 11:34:09 UTC

Accession Number

CHEM123508

Identification

Common Name

(1R,2S,5R)-N-(4-Methoxyphenyl)-5-methyl-2-(1-methylethyl)-cyclohexanecarboxamide

Class

Small Molecule

Description

(1R,2S,5R)-N-(4-Methoxyphenyl)-5-methyl-2-(1-methylethyl)-cyclohexanecarboxamide belongs to the monoterpenoids, a subclass of prenol lipids within the organic compounds. This compound is categorized under the superclass of lipids and lipid-like molecules and has the chemical formula C18H27N1O2.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₈H₂₇N₁O₂

Average Molecular Mass

Not Available

Monoisotopic Mass

289.204 g/mol

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C18H27NO2/c1-12(2)16-10-5-13(3)11-17(16)18(20)19-14-6-8-15(21-4)9-7-14/h6-9,12-13,16-17H,5,10-11H2,1-4H3,(H,19,20)

InChI Key

HNSGVPAAXJJOPQ-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

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-05fr-8590000000-d648a6dcd7d80a4b9f20	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
1542.0	Log mg/kg	[870:2700]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
10	Insecticides	Agriculture & land management	Not Available
233	Brushes	Personal care & cosmetics	Not Available
518	Electrically Stimulated Smoking Devices	Electrical & Electronic Equipment	Not Available
545	Food Preservation	Food, food processing & cookware	Not Available
556	Cigar Cigarettes	Household cleaning & consumer products	Not Available
559	Non Electric Simulated Smoking Devices	Household cleaning & consumer products	Not Available
561	Perfumes Within Detergents And Soaps	Household cleaning & consumer products	Not Available
563	Soap Detergents	Household cleaning & consumer products	Not Available
569	Tobacco Smoke Filters	Household cleaning & consumer products	Not Available
580	Manufacture Preparation Of Tobacco Products	Industrial manufacturing & chemical processing	Not Available
605	Pest Repellants	Agriculture & land management	Not Available
609	Aftershave	Personal care & cosmetics	Not Available
610	Aftersun Products	Personal care & cosmetics	Not Available
611	Anti Perspirants Or Body Deoderants	Personal care & cosmetics	Not Available
614	Essential Oils Or Perfumes	Personal care & cosmetics	Not Available
617	Lip Care Products	Personal care & cosmetics	Not Available
650	Purses Luggage Hand Bags	Textiles, leather & furnishings	Not Available
730	Contact Lens Cases	Healthcare, pharmaceuticals & veterinary products	Not Available

Pathways

0 pathways

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	Thyrotropin releasing hormone degrading enzyme	A0A287AP33	Sus scrofa	Predicted (SEA)	5.60514
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	356.627
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	311.008
Click to view 3D structure	Interstitial collagenase	P03956	Humans	Predicted (SEA)	249.118
Click to view 3D structure	Stromelysin-1	P08254	Humans	Predicted (SEA)	234.871
Click to view 3D structure	Inward rectifier potassium channel 2	P35561	Mus musculus	Predicted (SEA)	27.4029
Click to view 3D structure	Sentrin-specific protease 7	Q9BQF6	Humans	Predicted (SEA)	111.947
Click to view 3D structure	Bifunctional epoxide hydrolase 2	P34913	Humans	Predicted (SEA)	151.261
Click to view 3D structure	Luciferin 4-monooxygenase	P08659	Photinus pyralis	Predicted (SEA)	106.108
Click to view 3D structure	Collagenase 3	P45452	Humans	Predicted (SEA)	287.731
Click to view 3D structure	Matrilysin	P09237	Humans	Predicted (SEA)	211.283
Click to view 3D structure	Matrix metalloproteinase-9	P14780	Humans	Predicted (SEA)	429.806
Click to view 3D structure	Ectonucleotide pyrophosphatase/phosphodiesterase family member 3	O14638	Humans	Predicted (SEA)	9.73115
Click to view 3D structure	Vascular endothelial growth factor receptor 2	P35968	Humans	Predicted (SEA)	1674.3
Click to view 3D structure	Rho-associated protein kinase 1	Q13464	Humans	Predicted (SEA)	1333.17
Click to view 3D structure	cGMP-specific 3',5'-cyclic phosphodiesterase	O76074	Humans	Predicted (SEA)	135.769
Click to view 3D structure	High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A	O76083	Humans	Predicted (SEA)	41.7272
Click to view 3D structure	72 kDa type IV collagenase	P08253	Humans	Predicted (SEA)	604.11
Click to view 3D structure	Transient receptor potential cation channel subfamily A member 1	Q6RI86	Rattus norvegicus	Predicted (SEA)	30.2833
Click to view 3D structure	DNA damage-inducible transcript 3 protein	P35639	Mus musculus	Predicted (SEA)	192.365
Click to view 3D structure	X-box-binding protein 1	P17861	Humans	Predicted (SEA)	192.365
Click to view 3D structure	Transient receptor potential cation channel subfamily M member 8	Q7Z2W7	Humans	Predicted (SEA)	26.313
Click to view 3D structure	Caspase-3	P42574	Humans	Predicted (SEA)	204.354
Click to view 3D structure	Disintegrin and metalloproteinase domain-containing protein 17	P78536	Humans	Predicted (SEA)	228.176
Click to view 3D structure	Autotaxin	Q13822	Humans	Predicted (SEA)	23.8219