Common name
(E)-N-ethylbut-2-enamide
IUPAC name
(E)-N-ethylbut-2-enamide
SMILES
O=C(NCC)C=CC
Common name
(E)-N-ethylbut-2-enamide
IUPAC name
(E)-N-ethylbut-2-enamide
SMILES
O=C(NCC)C=CC
INCHI
InChI=1S/C6H11NO/c1-3-5-6(8)7-4-2/h3,5H,4H2,1-2H3,(H,7,8)/b5-3+
FORMULA
C6H11NO
Common name
(E)-N-ethylbut-2-enamide
IUPAC name
(E)-N-ethylbut-2-enamide
Molecular weight
113.158
clogP
0.579
clogS
-1.091
Frequency
0.0007
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 |
|---|---|---|---|---|
| FDBD00153 | Crotamiton |
|
Pesticides; Antiscabies Agents; Ectoparasiticides for Topical Use, Incl. Insecticides; Ectoparaciticides, Insecticides and Repellents; Antiparasitic Products, Insecticides and Repellents; | For eradication of scabies (. |
| FDBD02327 | crotamiton |
|
Insecticide | Insecticide |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1bsk_ligand_5_341.mol2 | 1bsk | 1 | -6.25 | CCNC(=O)/C=C\C | 8 |
| 2qhz_ligand_2_9.mol2 | 2qhz | 1 | -6.21 | C(=C\C(=O)NCC)\C | 8 |
| 4u0g_ligand_3_15.mol2 | 4u0g | 1 | -6.14 | O=C(/C=C/C)NCC | 8 |
| 4gm3_ligand_5_2072.mol2 | 4gm3 | 0.833333 | -5.96 | C(=O)(NC/C=C/C)C | 8 |
| 1bsk_ligand_4_205.mol2 | 1bsk | 0.818182 | -6.04 | CNC(=O)/C=C\C | 7 |
| 2qhz_ligand_1_1.mol2 | 2qhz | 0.818182 | -5.94 | C(=C\C(=O)NC)\C | 7 |
| 4u0g_ligand_2_3.mol2 | 4u0g | 0.818182 | -5.88 | O=C(/C=C/C)NC | 7 |
| 2zu4_ligand_6_12292.mol2 | 2zu4 | 0.785714 | -7.04 | C(=C\C(C)C)/C(=O)NC(C)C | 11 |
| 2zu5_ligand_6_13615.mol2 | 2zu5 | 0.785714 | -6.94 | C(C)(C)/C=C/C(=O)NC(C)C | 11 |
101 ,
11
