Common name
N-(2-methylphenyl)-N-propan-2-ylformamide
IUPAC name
N-(2-methylphenyl)-N-propan-2-ylformamide
SMILES
CC(N(C=O)c1ccccc1C)C
Common name
N-(2-methylphenyl)-N-propan-2-ylformamide
IUPAC name
N-(2-methylphenyl)-N-propan-2-ylformamide
SMILES
CC(N(C=O)c1ccccc1C)C
INCHI
InChI=1S/C11H15NO/c1-9(2)12(8-13)11-7-5-4-6-10(11)3/h4-9H,1-3H3
FORMULA
C11H15NO
Common name
N-(2-methylphenyl)-N-propan-2-ylformamide
IUPAC name
N-(2-methylphenyl)-N-propan-2-ylformamide
Molecular weight
177.243
clogP
2.096
clogS
-2.284
Frequency
0.0007
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
20.31
Number of Rings
1
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02416 | metolachlor |
|
Herbicide | Herbicide |
| FDBD02417 | S-metolachlor |
|
Herbicide | Herbicide |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4kiq_ligand_1_1.mol2 | 4kiq | 0.820513 | -7.14 | c1(c(cccc1)NC=O)C | 10 |
| 3b2w_ligand_1_0.mol2 | 3b2w | 0.820513 | -6.90 | N(C=O)c1ccccc1C | 10 |
| 2nyr_ligand_1_2.mol2 | 2nyr | 0.820513 | -6.83 | N(C=O)c1ccccc1C | 10 |
| 4x3u_ligand_1_2.mol2 | 4x3u | 0.820513 | -6.70 | c1cc(c(cc1)C)NC=O | 10 |
| 4x3u_ligand_1_7.mol2 | 4x3u | 0.820513 | -6.70 | c1(ccccc1C)NC=O | 10 |
| 4nwm_ligand_1_5.mol2 | 4nwm | 0.820513 | -6.30 | c1ccc(c(c1)NC=O)C | 10 |
| 2h9t_ligand_1_2.mol2 | 2h9t | 0.820513 | -6.15 | N(C=O)c1ccccc1C | 10 |
| 2nyr_ligand_1_7.mol2 | 2nyr | 0.820513 | -5.90 | c1(ccccc1C)NC=O | 10 |
| 4yv5_ligand_1_2.mol2 | 4yv5 | 0.820513 | -5.75 | c1cc(c(cc1)C)NC=O | 10 |
167 ,
17
