| Pubchem ID | 48422986 |
|---|---|
| CAS | 84787-69-9 |
| IUPAC name | 2-(cyclopropylmethoxy)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide |
| Synonyms | - |
| Categories | Flavor enhancer |
| SMILES | CC(C(=O)NCC(C1=CC=C(C=C1)F)N2CCOCC2)OCC3CC3 |
| InCheykey | InChI=1S/C19H27FN2O3/c1-14(25-13-15-2-3-15)19(23)21-12-18(22-8-10-24-11-9-22)16-4-6-17(20)7-5-16/h4-7,14-15,18H,2-3,8-13H2,1H3,(H,21,23) |
| 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 |
|---|---|---|---|---|
| 350.434 | 1 | 5 | 8 | 50.8 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Good Absorption | Slightly Soluble | Weaker / Non binder | Medium | Non - Inhibitor | Non Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Non-Carcinogen | Toxic | Non-Mutagen | Non-Irritant | Non-Irritant | Irritant | Non-Degradable |