IUPAC name
rac-N-methoxy-N′-(4-{[(2R)-2-methoxy-2,4,4-trimethyl-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}phenyl)-N-methylurea
SMILES
CC1(C)CC(C)(OC)Oc2cc(ccc12)Oc1ccc(cc1)NC(=O)N(C)OC
Compound class
Herbicide
Therapeutic area
Herbicide
Common name
metobenzuron
IUPAC name
rac-N-methoxy-N′-(4-{[(2R)-2-methoxy-2,4,4-trimethyl-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}phenyl)-N-methylurea
SMILES
CC1(C)CC(C)(OC)Oc2cc(ccc12)Oc1ccc(cc1)NC(=O)N(C)OC
INCHI
InChI=1S/C22H28N2O5/c1-21(2)14-22(3,26-5)29-19-13-17(11-12-18(19)21)28-16-9-7-15(8-10-16)23-20(25)24(4)27-6/h7-13H,14H2,1-6H3,(H,23,25)
FORMULA
C22H28N2O5
Common name
metobenzuron
IUPAC name
rac-N-methoxy-N′-(4-{[(2R)-2-methoxy-2,4,4-trimethyl-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}phenyl)-N-methylurea
Molecular weight
400.468
clogP
2.847
clogS
-5.206
HBond Acceptor
5
HBond Donor
1
Total Polar Surface Area
69.26
Number of Rings
3
Rotatable Bond
6
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00006 | phenol |
|
c1ccc(cc1)O | 0.0897 |
| FDBF00119 | methylurea |
|
O=C(NC)N | 0.0065 |
| FDBF05862 | 1-BLAH-N-methoxy-N-methylformamide |
|
CN(C(=O)N)OC | 0.0017 |
| FDBF06332 | (2S)-2,4,4-trimethyl-2,3-dihydrochromen-7-ol |
|
CC1(c2c(O[C@H](C1)C)cc(cc2)O)C | 0.0003 |
| FDBF06333 | 1-methyl-3-phenylurea |
|
N(C(=O)NC)c1ccccc1 | 0.0007 |
| FDBF06335 | (2S)-2-methoxy-2,4,4-trimethyl-3H-chromen-7-ol |
|
O(C)[C@]1(Oc2c(C(C)(C1)C)ccc(c2)O)C | 0.0003 |
| FDBF06336 | 1-methoxy-1-methyl-3-phenylurea |
|
O(C)N(C(=O)Nc1ccccc1)C | 0.0003 |
8 ,
1
