| Pubchem ID | 48423865 |
|---|---|
| CAS | 8006-77-7 |
| IUPAC name | methyl N-[1-oxo-3-phenyl-1-(4-propan-2-yloxyanilino)propan-2-yl]carbamate |
| Synonyms | - |
| Categories | Flavor enhancer |
| SMILES | CC(C)OC1=CC=C(C=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)OC |
| InCheykey | InChI=1S/C20H24N2O4/c1-14(2)26-17-11-9-16(10-12-17)21-19(23)18(22-20(24)25-3)13-15-7-5-4-6-8-15/h4-12,14,18H,13H2,1-3H3,(H,21,23)(H,22,24) |
| 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 |
|---|---|---|---|---|
| 356.422 | 2 | 4 | 8 | 76.7 |
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 | Weaker / Non binder | Medium | Non - Inhibitor | Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Non-Carcinogen | Toxic | Non-Mutagen | Non-Irritant | Irritant | Irritant | Non-Degradable |