Common name
N-(2-methoxyethyl)acetamide
IUPAC name
N-(2-methoxyethyl)acetamide
SMILES
CC(=O)NCCOC
Common name
N-(2-methoxyethyl)acetamide
IUPAC name
N-(2-methoxyethyl)acetamide
SMILES
CC(=O)NCCOC
INCHI
InChI=1S/C5H11NO2/c1-5(7)6-3-4-8-2/h3-4H2,1-2H3,(H,6,7)
FORMULA
C5H11NO2
Common name
N-(2-methoxyethyl)acetamide
IUPAC name
N-(2-methoxyethyl)acetamide
Molecular weight
117.146
clogP
0.016
clogS
-1.152
Frequency
0.0010
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
38.33
Number of Rings
0
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00405 | Gadoversetamide |
|
Contrast Media; Paramagnetic Contrast Media; Magnetic Resonance Imaging Contrast Media; | Gadoversetamide is an MRI contrast agent used for MRI diagnostic procedures to provide increased enhancement and visualization of lesions of the brain, spine and liver, including tumors. |
| FDBD01392 | Lacosamide |
|
Anticonvulsants; Nervous System; Antiepileptics; | Lacosamide is indicated for adjunctive therapy for partial onset seizures in patients with epilepsy over 17 years old. Injection is indicated for short term use when oral therapy is not feasible. |
| FDBD02109 | amidithion |
|
Insecticide | Insecticide |
3 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1w6h_ligand_5_2403.mol2 | 1w6h | 1 | -5.58 | C(OC)CNC(=O)C | 8 |
| 1ms6_ligand_5_216.mol2 | 1ms6 | 1 | -5.54 | C(COC)NC(=O)C | 8 |
| 1vj9_ligand_5_166.mol2 | 1vj9 | 1 | -5.22 | C(CNC(=O)C)OC | 8 |
| 2bvs_ligand_5_4046.mol2 | 2bvs | 1 | -5.17 | C(NC(=O)C)COC | 8 |
| 3ieo_ligand_3_10.mol2 | 3ieo | 1 | -5.11 | N(C(=O)C)CCOC | 8 |
| 4u5s_ligand_5_11191.mol2 | 4u5s | 1 | -5.00 | O(CCNC(=O)C)C | 8 |
| 4u5s_ligand_6_26233.mol2 | 4u5s | 0.884615 | -5.27 | C[C@H](NC(=O)C)COC | 9 |
| 4y8y_ligand_1_7.mol2 | 4y8y | 0.851852 | -5.41 | CC(=O)N1CCOCC1 | 9 |
| 3cj5_ligand_1_0.mol2 | 3cj5 | 0.851852 | -5.13 | CC(=O)N1CCOCC1 | 9 |
| 4gmc_ligand_1_3.mol2 | 4gmc | 0.851852 | -5.06 | CC(=O)N1CCOCC1 | 9 |
332 ,
34
