Common name
N-ethylpropanamide
IUPAC name
N-ethylpropanamide
SMILES
C(=O)(NCC)CC
Common name
N-ethylpropanamide
IUPAC name
N-ethylpropanamide
SMILES
C(=O)(NCC)CC
INCHI
InChI=1S/C5H11NO/c1-3-5(7)6-4-2/h3-4H2,1-2H3,(H,6,7)
FORMULA
C5H11NO
Common name
N-ethylpropanamide
IUPAC name
N-ethylpropanamide
Molecular weight
101.147
clogP
0.351
clogS
-1.387
Frequency
0.0038
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
29.1
Number of Rings
0
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02374 | napropamide-M |
|
Herbicide | Herbicide |
11 ,
2
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1kvo_ligand_5_1011.mol2 | 1kvo | 1 | -6.79 | CCC(=O)NC(C)C | 8 |
| 1j1a_ligand_5_2569.mol2 | 1j1a | 1 | -6.74 | CC(C)NC(=O)CC | 8 |
| 4jt8_ligand_3_0.mol2 | 4jt8 | 1 | -6.72 | C(C)NC(=O)C(C)(C)C | 9 |
| 3dv1_ligand_4_30.mol2 | 3dv1 | 1 | -6.58 | CCNC(=O)C(C)C | 8 |
| 3duy_ligand_4_3045.mol2 | 3duy | 1 | -6.54 | C(=O)(NCC)C(C)C | 8 |
| 2f3f_ligand_4_30.mol2 | 2f3f | 1 | -6.53 | C(C)(C)C(=O)NCC | 8 |
671 ,
68
