IUPAC name
N-(4-methylphenyl)-N′-(2-phenylpropan-2-yl)urea
SMILES
Cc1ccc(cc1)NC(=O)NC(C)(C)c1ccccc1
Compound class
Herbicide
Therapeutic area
Herbicide
Common name
daimuron
IUPAC name
N-(4-methylphenyl)-N′-(2-phenylpropan-2-yl)urea
SMILES
Cc1ccc(cc1)NC(=O)NC(C)(C)c1ccccc1
INCHI
InChI=1S/C17H20N2O/c1-13-9-11-15(12-10-13)18-16(20)19-17(2,3)14-7-5-4-6-8-14/h4-12H,1-3H3,(H2,18,19,20)
FORMULA
C17H20N2O
Common name
daimuron
IUPAC name
N-(4-methylphenyl)-N′-(2-phenylpropan-2-yl)urea
Molecular weight
268.353
clogP
3.577
clogS
-4.333
HBond Acceptor
2
HBond Donor
2
Total Polar Surface Area
44.62
Number of Rings
2
Rotatable Bond
4
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00023 | toluene |
|
c1(ccccc1)C | 0.1268 |
| FDBF02142 | cumene |
|
C(c1ccccc1)(C)C | 0.0045 |
| FDBF05928 | propan-2-ylurea |
|
N(C(=O)N)C(C)C | 0.0010 |
| FDBF05929 | 2-phenylpropan-2-ylurea |
|
N(C(=O)N)C(C)(C)c1ccccc1 | 0.0007 |
| FDBF05956 | (4-methylphenyl)urea |
|
Cc1ccc(cc1)NC(=O)N | 0.0003 |
| FDBF05957 | 1-(4-methylphenyl)-3-propan-2-ylurea |
|
C(C)(C)NC(=O)Nc1ccc(C)cc1 | 0.0003 |
| FDBF06329 | (1Z)-N-(2-phenylpropan-2-yl)methanimidic acid |
|
c1(ccccc1)C(C)(C)NC=O | 0.0014 |
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