(1R,3R,4S)-N-p-Benzeneacetonitrile-menthanecarboxamide (CED0107641)

Record Information

Version

1.0

Creation Date

2026-04-06 11:06:02 UTC

Update Date

2026-04-06 11:06:02 UTC

Accession Number

CHEM123201

Identification

Common Name

(1R,3R,4S)-N-p-Benzeneacetonitrile-menthanecarboxamide

Class

Small Molecule

Description

(1R,3R,4S)-N-p-Benzeneacetonitrile-menthanecarboxamide belongs to the monoterpenoids, a subclass of prenol lipids within the organic compounds. It is categorized under the superclass of lipids and lipid-like molecules. This compound has the chemical formula C19H26N2O1.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₉H₂₆N₂O₁

Average Molecular Mass

Not Available

Monoisotopic Mass

298.205 g/mol

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C19H26N2O/c1-13(2)17-9-4-14(3)12-18(17)19(22)21-16-7-5-15(6-8-16)10-11-20/h5-8,13-14,17-18H,4,9-10,12H2,1-3H3,(H,21,22)/t14-,17+,18-/m1/s1

InChI Key

FPJRGEOLQICYQZ-FHLIZLRMSA-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

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
1984.0	Log mg/kg	[1100:3500]	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
560	Other Smoking Requisites	Household cleaning & consumer products	Not Available
569	Tobacco Smoke Filters	Household cleaning & consumer products	Not Available
578	Making Cigars	Industrial manufacturing & chemical processing	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
613	Depilatories	Personal care & cosmetics	Not Available
614	Essential Oils Or Perfumes	Personal care & cosmetics	Not Available
618	Lip Makeup Products	Personal care & cosmetics	Not Available
632	Apparel	Textiles, leather & furnishings	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	6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 1	P16118	Humans	Predicted (SEA)	3.58106
Click to view 3D structure	Transient receptor potential cation channel subfamily A member 1	Q6RI86	Rattus norvegicus	Predicted (SEA)	61.5787
Click to view 3D structure	Rho-associated protein kinase 2	O75116	Humans	Predicted (SEA)	2619.39
Click to view 3D structure	Rho-associated protein kinase 1	Q13464	Humans	Predicted (SEA)	2894.12
Click to view 3D structure	6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3	Q16875	Humans	Predicted (SEA)	19.0731
Click to view 3D structure	Beta-3 adrenergic receptor	P13945	Humans	Predicted (SEA)	399.678
Click to view 3D structure	Bifunctional epoxide hydrolase 2	P34913	Humans	Predicted (SEA)	787.912
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	4900.84
Click to view 3D structure	Interleukin-18	Q14116	Humans	Predicted (SEA)	64.8484
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	4508.02
Click to view 3D structure	Sodium-dependent serotonin transporter	P31645	Humans	Predicted (SEA)	2127.39
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	1761.11
Click to view 3D structure	Transient receptor potential cation channel subfamily M member 8	Q7Z2W7	Humans	Predicted (SEA)	134.368
Click to view 3D structure	Cathepsin K	P43235	Humans	Predicted (SEA)	661.329
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	5025.09
Click to view 3D structure	Dipeptidyl peptidase 1	P53634	Humans	Predicted (SEA)	296.761
Click to view 3D structure	Tyrosine-protein kinase JAK3	P52333	Humans	Predicted (SEA)	3753.19
Click to view 3D structure	Tyrosine-protein kinase JAK2	O60674	Humans	Predicted (SEA)	3915.5
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	5533.29
Click to view 3D structure	6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 2	O60825	Humans	Predicted (SEA)	19.1509
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	1665.9
Click to view 3D structure	Cathepsin S	P25774	Humans	Predicted (SEA)	830.34
Click to view 3D structure	Procathepsin L	P07711	Humans	Predicted (SEA)	941.275
Click to view 3D structure	Cathepsin B	P07858	Humans	Predicted (SEA)	981.445
Click to view 3D structure	Cathepsin K	P43236	Oryctolagus cuniculus	Predicted (SEA)	111.869