Common name
2-methoxy-N,N,3-trimethylbenzamide
IUPAC name
2-methoxy-N,N,3-trimethylbenzamide
SMILES
C(=O)(N(C)C)c1c(c(C)ccc1)OC
Common name
2-methoxy-N,N,3-trimethylbenzamide
IUPAC name
2-methoxy-N,N,3-trimethylbenzamide
SMILES
C(=O)(N(C)C)c1c(c(C)ccc1)OC
INCHI
InChI=1S/C11H15NO2/c1-8-6-5-7-9(10(8)14-4)11(13)12(2)3/h5-7H,1-4H3
FORMULA
C11H15NO2
Common name
2-methoxy-N,N,3-trimethylbenzamide
IUPAC name
2-methoxy-N,N,3-trimethylbenzamide
Molecular weight
193.242
clogP
1.793
clogS
-2.521
Frequency
0.0003
HBond Acceptor
2
HBond Donor
0
Total PolarSurface Area
29.54
Number of Rings
1
Rotatable Bond
3
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2v13_ligand_4_1379.mol2 | 2v13 | 0.924528 | -6.64 | COc1ccccc1C(=O)NC | 12 |
| 2v12_ligand_4_1695.mol2 | 2v12 | 0.924528 | -6.59 | COc1ccccc1C(=O)NC | 12 |
| 4ngp_ligand_4_2056.mol2 | 4ngp | 0.924528 | -6.20 | CNC(=O)c1c(cccc1)OC | 12 |
| 2v12_ligand_5_5565.mol2 | 2v12 | 0.859649 | -6.87 | CCNC(=O)c1c(cccc1)OC | 13 |
| 4ngp_ligand_5_7260.mol2 | 4ngp | 0.859649 | -6.47 | CCNC(=O)c1c(cccc1)OC | 13 |
| 2xln_ligand_3_2.mol2 | 2xln | 0.859649 | -6.32 | O(C)c1c(C(=O)NCC)cccc1 | 13 |
| 2xln_ligand_3_1.mol2 | 2xln | 0.859649 | -6.25 | O(C)c1c(C(=O)NCC)cccc1 | 13 |
| 2v13_ligand_5_3185.mol2 | 2v13 | 0.830508 | -6.96 | CCOc1ccccc1C(=O)NC | 13 |
| 2v12_ligand_5_4200.mol2 | 2v12 | 0.830508 | -6.91 | C(C)Oc1ccccc1C(=O)NC | 13 |
| 4wx4_ligand_4_38.mol2 | 4wx4 | 0.830508 | -6.51 | O(C)c1c(C=O)cc(cc1)C(=O)NC | 14 |
139 ,
14
