Common name
1-methyl-3-(2-phenylpropan-2-yl)urea
IUPAC name
1-methyl-3-(2-phenylpropan-2-yl)urea
SMILES
N(C(=O)NC)C(C)(C)c1ccccc1
Common name
1-methyl-3-(2-phenylpropan-2-yl)urea
IUPAC name
1-methyl-3-(2-phenylpropan-2-yl)urea
SMILES
N(C(=O)NC)C(C)(C)c1ccccc1
INCHI
InChI=1S/C11H16N2O/c1-11(2,13-10(14)12-3)9-7-5-4-6-8-9/h4-8H,1-3H3,(H2,12,13,14)
FORMULA
C11H16N2O
Common name
1-methyl-3-(2-phenylpropan-2-yl)urea
IUPAC name
1-methyl-3-(2-phenylpropan-2-yl)urea
Molecular weight
192.258
clogP
1.331
clogS
-2.906
Frequency
0.0007
HBond Acceptor
1
HBond Donor
2
Total PolarSurface Area
41.13
Number of Rings
1
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02771 | cumyluron |
|
Herbicide | Herbicide |
| FDBD02791 | methyldymron |
|
Herbicide | Herbicide |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1skj_ligand_3_68.mol2 | 1skj | 0.880952 | -5.82 | CNC(=O)NCc1ccccc1 | 12 |
| 2yix_ligand_3_0.mol2 | 2yix | 0.860465 | -7.84 | CCNC(=O)NCc1ccccc1 | 13 |
| 1skj_ligand_4_238.mol2 | 1skj | 0.860465 | -6.01 | CCNC(=O)NCc1ccccc1 | 13 |
| 1zom_ligand_3_780.mol2 | 1zom | 0.823529 | -5.62 | [C@H](C)(NC(=O)NC)c1ccc(cc1)Br | 14 |
175 ,
18
