Common name
2-acetamido-N-ethyl-acetamide
IUPAC name
2-acetamido-N-ethyl-acetamide
SMILES
CC(=O)NCC(=O)NCC
Common name
2-acetamido-N-ethyl-acetamide
IUPAC name
2-acetamido-N-ethyl-acetamide
SMILES
CC(=O)NCC(=O)NCC
INCHI
InChI=1S/C6H12N2O2/c1-3-7-6(10)4-8-5(2)9/h3-4H2,1-2H3,(H,7,10)(H,8,9)
FORMULA
C6H12N2O2
Common name
2-acetamido-N-ethyl-acetamide
IUPAC name
2-acetamido-N-ethyl-acetamide
Molecular weight
144.172
clogP
-0.262
clogS
-1.441
Frequency
0.0007
HBond Acceptor
2
HBond Donor
2
Total PolarSurface Area
58.2
Number of Rings
0
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00100 | Remikiren |
|
Cardiovascular System; Agents Acting on the Renin-Angiotensin System; Renin-Inhibitors; | For the treatment of hypertension and heart failure. |
| FDBD00753 | Benzylpenicilloyl Polylysine |
|
Acetamides; | For use as a adjunct in assessing the risk of administering penicillin (benzylpenicillin or penicillin G). |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1a7c_ligand_4_507.mol2 | 1a7c | 1 | -6.65 | CC(=O)NCC(=O)NCC | 10 |
| 1a7c_ligand_3_12.mol2 | 1a7c | 1 | -6.36 | N(C(=O)C)CC(=O)NC | 9 |
| 1bxq_ligand_5_3261.mol2 | 1bxq | 1 | -6.20 | CC(=O)NCC(=O)NCC | 10 |
| 3d91_ligand_5_3731.mol2 | 3d91 | 1 | -6.18 | CCNC(=O)CNC(=O)C | 10 |
| 2h65_ligand_4_611.mol2 | 2h65 | 1 | -6.14 | C(=O)(NCC)CNC(=O)C | 10 |
| 1ym4_ligand_5_700.mol2 | 1ym4 | 1 | -6.13 | N(C(=O)C)CC(=O)NCC | 10 |
680 ,
69
