| Pubchem ID | 25113851 |
|---|---|
| CAS | 852379-28-3 |
| IUPAC name | N-[4-(cyanomethyl)phenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide |
| Synonyms | - |
| Categories | Flavor enhancer |
| SMILES | CC1CCC(C(C1)C(=O)NC2=CC=C(C=C2)CC#N)C(C)C |
| InCheykey | 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) |
| Natural | nan |
| E No. | - |
| GHS Siginal | - |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 298.43 | 1 | 2 | 4 | 52.9 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Good Absorption | Low Solubility | Binder | High | Non - Inhibitor | Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Carcinogen | Non-Toxic | Non-Mutagen | Non-Irritant | Irritant | Irritant | Degradable |