IUPAC name
3-[[(dimethylamino)carbonyl]amino]phenyl N-(1,1-dimethylethyl)carbamate
SMILES
CC(C)(C)NC(=O)Oc1cccc(c1)NC(=O)N(C)C
Compound class
Herbicide
Therapeutic area
Herbicide
Common name
karbutilate
IUPAC name
3-[[(dimethylamino)carbonyl]amino]phenyl N-(1,1-dimethylethyl)carbamate
SMILES
CC(C)(C)NC(=O)Oc1cccc(c1)NC(=O)N(C)C
INCHI
InChI=1S/C14H21N3O3/c1-14(2,3)16-13(19)20-11-8-6-7-10(9-11)15-12(18)17(4)5/h6-9H,1-5H3,(H,15,18)(H,16,19)
FORMULA
C14H21N3O3
Common name
karbutilate
IUPAC name
3-[[(dimethylamino)carbonyl]amino]phenyl N-(1,1-dimethylethyl)carbamate
Molecular weight
279.335
clogP
1.521
clogS
-1.888
HBond Acceptor
6
HBond Donor
2
Total Polar Surface Area
77.65
Number of Rings
1
Rotatable Bond
5
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00012 | isobutane |
|
C(C)(C)C | 0.0611 |
| FDBF00066 | N-methylmethanamine |
|
N(C)C | 0.0914 |
| FDBF01315 | N-phenylformamide |
|
c1(ccccc1)NC=O | 0.0058 |
| FDBF05875 | 1,1-dimethyl-3-phenylurea |
|
c1(ccccc1)NC(=O)N(C)C | 0.0024 |
| FDBF06274 | tert-butylcarbamic acid |
|
CC(C)(C)NC(=O)O | 0.0003 |
5 ,
1
