Common name
N-ethylacetamide
IUPAC name
N-ethylacetamide
SMILES
C(=O)(NCC)C
Common name
N-ethylacetamide
IUPAC name
N-ethylacetamide
SMILES
C(=O)(NCC)C
INCHI
InChI=1S/C4H9NO/c1-3-5-4(2)6/h3H2,1-2H3,(H,5,6)
FORMULA
C4H9NO
Common name
N-ethylacetamide
IUPAC name
N-ethylacetamide
Molecular weight
87.120
clogP
-0.038
clogS
-0.956
Frequency
0.0089
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
29.1
Number of Rings
0
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01789 | Sacubitril |
|
Cardiovascular System; Agents Acting on the Renin-Angiotensin System; | Used in combination with valsartan to reduce the risk of cardiovascular events in patients with chronic heart failure (NYHA Class II-IV). |
| FDBD01829 | Ixazomib |
|
Antineoplastic Agents; Protease Inhibitors; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2B6 Inhibitors (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | Ixazomib is indicated in combination with lenalidomide and dexamethasone for the treatment of patients with multiple myeloma who have received at least one prior therapy. |
| FDBD02109 | amidithion |
|
Insecticide | Insecticide |
| FDBD02112 | ethoate-methyl |
|
Insecticide | Insecticide |
| FDBD02154 | primidophos |
|
Insecticide | Insecticide |
| FDBD02693 | diethamquat |
|
Herbicide | Herbicide |
26 ,
3
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1oth_ligand_3_16.mol2 | 1oth | 1 | -6.36 | CCNC(=O)C | 6 |
| 1csi_ligand_3_965.mol2 | 1csi | 1 | -6.17 | CCNC(=O)C | 6 |
| 1css_ligand_3_965.mol2 | 1css | 1 | -6.17 | CC(=O)NCC | 6 |
| 1kvo_ligand_3_170.mol2 | 1kvo | 1 | -6.17 | C(NC(=O)C)C | 6 |
| 1kvo_ligand_3_93.mol2 | 1kvo | 1 | -6.17 | C(NC(=O)C)C | 6 |
| 2g1r_ligand_2_9.mol2 | 2g1r | 1 | -6.17 | C(NC(=O)C)C | 6 |
944 ,
95
