Common name
N-(o-tolyl)propanamide
IUPAC name
N-(o-tolyl)propanamide
SMILES
C(C)C(=O)Nc1c(cccc1)C
Common name
N-(o-tolyl)propanamide
IUPAC name
N-(o-tolyl)propanamide
SMILES
C(C)C(=O)Nc1c(cccc1)C
INCHI
InChI=1S/C10H13NO/c1-3-10(12)11-9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3,(H,11,12)
FORMULA
C10H13NO
Common name
N-(o-tolyl)propanamide
IUPAC name
N-(o-tolyl)propanamide
Molecular weight
163.216
clogP
2.191
clogS
-2.962
Frequency
0.0003
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
29.1
Number of Rings
1
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00614 | Prilocaine |
|
Anesthetics, Local; Anesthetics; Nervous System; Amides; | Used as a local anaesthetic and is often used in dentistry. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4qq5_ligand_3_119.mol2 | 4qq5 | 0.869565 | -6.97 | N(C(=O)CC)c1ccc(C)cc1 | 12 |
| 4r6v_ligand_3_0.mol2 | 4r6v | 0.869565 | -6.87 | c1(ccc(cc1)C)NC(=O)CC | 12 |
| 4qqc_ligand_3_119.mol2 | 4qqc | 0.869565 | -6.61 | N(C(=O)CC)c1ccc(cc1)C | 12 |
| 2upj_ligand_4_285.mol2 | 2upj | 0.816327 | -7.04 | C(C)C(=O)Nc1cccc(c1)C | 12 |
| 4xcu_ligand_2_0.mol2 | 4xcu | 0.816327 | -6.46 | O=C(Nc1cccc(c1)C)CC | 12 |
| 2i80_ligand_2_3.mol2 | 2i80 | 0.795455 | -8.02 | C(C)(C)C(=O)Nc1ccccc1 | 12 |
| 3chs_ligand_3_1.mol2 | 3chs | 0.795455 | -7.68 | C(C(=O)Nc1ccccc1)C | 11 |
| 3chr_ligand_3_15.mol2 | 3chr | 0.795455 | -7.62 | CCC(=O)Nc1ccccc1 | 11 |
| 3chq_ligand_3_31.mol2 | 3chq | 0.795455 | -7.57 | CCC(=O)Nc1ccccc1 | 11 |
| 3n86_ligand_3_1.mol2 | 3n86 | 0.795455 | -7.49 | C(C(=O)Nc1ccccc1)C | 11 |
103 ,
11
