Common name
N-(2,6-dimethylphenyl)-2-methoxyacetamide
IUPAC name
N-(2,6-dimethylphenyl)-2-methoxyacetamide
SMILES
O(C)CC(=O)Nc1c(C)cccc1C
Common name
N-(2,6-dimethylphenyl)-2-methoxyacetamide
IUPAC name
N-(2,6-dimethylphenyl)-2-methoxyacetamide
SMILES
O(C)CC(=O)Nc1c(C)cccc1C
INCHI
InChI=1S/C11H15NO2/c1-8-5-4-6-9(2)11(8)12-10(13)7-14-3/h4-6H,7H2,1-3H3,(H,12,13)
FORMULA
C11H15NO2
Common name
N-(2,6-dimethylphenyl)-2-methoxyacetamide
IUPAC name
N-(2,6-dimethylphenyl)-2-methoxyacetamide
Molecular weight
193.242
clogP
2.238
clogS
-3.254
Frequency
0.0010
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
38.33
Number of Rings
1
Rotatable Bond
3
3 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4btt_ligand_2_27.mol2 | 4btt | 0.708333 | -6.53 | N1(CCOCC1=O)c1c(cccc1)CC | 15 |
| 4dho_ligand_3_16.mol2 | 4dho | 0.692308 | -5.49 | C(O)C(=O)Nc1ccccc1 | 11 |
| 4dhm_ligand_3_16.mol2 | 4dhm | 0.692308 | -5.42 | c1(ccccc1)NC(=O)CO | 11 |
| 2w26_ligand_1_0.mol2 | 2w26 | 0.650794 | -6.93 | c1ccc(cc1)N1CCOCC1=O | 13 |
| 4btt_ligand_1_7.mol2 | 4btt | 0.650794 | -6.14 | N1(CCOCC1=O)c1ccccc1 | 13 |
| 1wax_ligand.mol2 | 1wax | 0.630769 | -7.71 | C(=O)(O)C(=O)Nc1ccc(cc1)C[NH3+] | 15 |
| 4dhm_ligand_4_14.mol2 | 4dhm | 0.630769 | -5.65 | c1(cc(ccc1)C(F)(F)F)NC(=O)CO | 15 |
144 ,
15
