Common name
(2R)-2-(methylamino)-N-(o-tolyl)propanamide
IUPAC name
(2R)-2-(methylamino)-N-(o-tolyl)propanamide
SMILES
C(C)(C(=O)Nc1c(cccc1)C)NC
Common name
(2R)-2-(methylamino)-N-(o-tolyl)propanamide
IUPAC name
(2R)-2-(methylamino)-N-(o-tolyl)propanamide
SMILES
C(C)(C(=O)Nc1c(cccc1)C)NC
INCHI
InChI=1S/C11H16N2O/c1-8-6-4-5-7-10(8)13-11(14)9(2)12-3/h4-7,9,12H,1-3H3,(H,13,14)/t9-/m1/s1
FORMULA
C11H16N2O
Common name
(2R)-2-(methylamino)-N-(o-tolyl)propanamide
IUPAC name
(2R)-2-(methylamino)-N-(o-tolyl)propanamide
Molecular weight
192.258
clogP
1.616
clogS
-3.057
Frequency
0.0003
HBond Acceptor
1
HBond Donor
2
Total PolarSurface Area
41.13
Number of Rings
1
Rotatable Bond
3
| 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 |
|---|---|---|---|---|---|
| 1sln_ligand_4_463.mol2 | 1sln | 0.754386 | -7.04 | C(=O)(Nc1ccccc1)[C@H](C)NC=O | 14 |
| 1hfs_ligand_4_2311.mol2 | 1hfs | 0.754386 | -6.96 | C[C@H](NC=O)C(=O)Nc1ccccc1 | 14 |
| 1ele_ligand_3_52.mol2 | 1ele | 0.754386 | -6.82 | C(=O)N[C@H](C(=O)Nc1ccccc1)C | 14 |
| 1eld_ligand_3_80.mol2 | 1eld | 0.754386 | -6.78 | C(=O)N[C@@H](C)C(=O)Nc1ccccc1 | 14 |
| 1elb_ligand_4_701.mol2 | 1elb | 0.754386 | -6.61 | c1(ccccc1)NC(=O)[C@H](C)NC=O | 14 |
| 1elc_ligand_4_682.mol2 | 1elc | 0.754386 | -6.55 | C(=O)N[C@@H](C)C(=O)Nc1ccccc1 | 14 |
| 2srt_ligand_4_463.mol2 | 2srt | 0.754386 | -6.48 | C[C@H](NC=O)C(=O)Nc1ccccc1 | 14 |
| 4qq5_ligand_3_119.mol2 | 4qq5 | 0.727273 | -6.97 | N(C(=O)CC)c1ccc(C)cc1 | 12 |
| 4r6v_ligand_3_0.mol2 | 4r6v | 0.727273 | -6.87 | c1(ccc(cc1)C)NC(=O)CC | 12 |
| 4qqc_ligand_3_119.mol2 | 4qqc | 0.727273 | -6.61 | N(C(=O)CC)c1ccc(cc1)C | 12 |
100 ,
11
