IUPAC name
methyl N-(2,6-dimethylphenyl)-N-(methoxyacetyl)-DL-alaninate
SMILES
Cc1cccc(C)c1N(C(C)C(=O)OC)C(=O)COC
Compound class
Fungicide
Therapeutic area
Fungicide
Common name
metalaxyl
IUPAC name
methyl N-(2,6-dimethylphenyl)-N-(methoxyacetyl)-DL-alaninate
SMILES
Cc1cccc(C)c1N(C(C)C(=O)OC)C(=O)COC
INCHI
InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3
FORMULA
C15H21NO4
Common name
metalaxyl
IUPAC name
methyl N-(2,6-dimethylphenyl)-N-(methoxyacetyl)-DL-alaninate
Molecular weight
279.332
clogP
2.323
clogS
-3.045
HBond Acceptor
4
HBond Donor
0
Total Polar Surface Area
55.84
Number of Rings
1
Rotatable Bond
7
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00015 | acetamide |
|
NC(=O)C | 0.0460 |
| FDBF00102 | methyl propanoate |
|
C(C)C(=O)OC | 0.0096 |
| FDBF00142 | methyl (2S)-2-formamidopropanoate |
|
CC(NC=O)C(=O)OC | 0.0014 |
| FDBF00158 | methoxymethane |
|
COC | 0.0374 |
| FDBF00495 | N-(2,6-dimethylphenyl)formamide |
|
O=CNc1c(cccc1C)C | 0.0065 |
| FDBF00497 | N-(2,6-dimethylphenyl)acetamide |
|
CC(=O)Nc1c(cccc1C)C | 0.0027 |
| FDBF00502 | m-xylene |
|
c1c(cccc1C)C | 0.0144 |
| FDBF04234 | 2-methoxyacetamide |
|
C(C(=O)N)OC | 0.0017 |
| FDBF06734 | methyl acetyl-L-alaninate |
|
[C@H](C)(C(=O)OC)NC(=O)C | 0.0007 |
| FDBF07319 | N-(2,6-dimethylphenyl)-2-methoxyacetamide |
|
O(C)CC(=O)Nc1c(C)cccc1C | 0.0010 |
11 ,
2
