IUPAC name
3-(1-ethylpropyl)phenyl N-methylcarbamate mixture with 3-(1-methylbutyl)phenyl N-methylcarbamate
SMILES
CCC(CC)c1cccc(c1)OC(=O)NC
Compound class
Insecticide
Therapeutic area
Insecticide
Common name
bufencarb
IUPAC name
3-(1-ethylpropyl)phenyl N-methylcarbamate mixture with 3-(1-methylbutyl)phenyl N-methylcarbamate
SMILES
CCC(CC)c1cccc(c1)OC(=O)NC
INCHI
InChI=1S/C13H19NO2/c1-4-10(5-2)11-7-6-8-12(9-11)16-13(15)14-3/h6-10H,4-5H2,1-3H3,(H,14,15)
FORMULA
C13H19NO2
Common name
bufencarb
IUPAC name
3-(1-ethylpropyl)phenyl N-methylcarbamate mixture with 3-(1-methylbutyl)phenyl N-methylcarbamate
Molecular weight
221.295
clogP
3.185
clogS
-3.078
HBond Acceptor
3
HBond Donor
1
Total Polar Surface Area
41.82
Number of Rings
1
Rotatable Bond
5
| 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 |
| FDBF00081 | pentane |
|
CCCCC | 0.0316 |
| FDBF00193 | propylbenzene |
|
C(c1ccccc1)CC | 0.0186 |
| FDBF01127 | methylcarbamic acid |
|
O=C(O)NC | 0.0199 |
| FDBF02121 | phenyl N-methylcarbamate |
|
c1cc(ccc1)OC(=O)NC | 0.0045 |
| FDBF04604 | (3-methylphenyl) N-methylcarbamate |
|
Cc1cccc(c1)OC(=O)NC | 0.0014 |
8 ,
1
