Basic information
- Standard SMILES
Cc1ccc(C(C)NC(=O)[C@H](NC(=O)OC(C)C)C(C)C)cc1- InChIKey
NWUWYYSKZYIQAE-BZSJEYESSA-N- Molecular formula
- C18H28N2O3
- Average molar mass
- 320.4 g/mol
- Monoisotopic mass
- 320.20999276
Names & identifiers
- Preferred name
- propan-2-yl N-[(2R)-3-methyl-1-[1-(4-methylphenyl)ethylamino]-1-oxobutan-2-yl]carbamate
- IUPAC
- propan-2-yl N-[(2R)-3-methyl-1-[1-(4-methylphenyl)ethylamino]-1-oxobutan-2-yl]carbamate
Names & synonyms
propan-2-yl N-[(2R)-3-methyl-1-[1-(4-methylphenyl)ethylamino]-1-oxobutan-2-yl]carbamate(R)-iprovalicarbSCHEMBL10170773NWUWYYSKZYIQAE-BZSJEYESSA-NAKOS025294487Iprovalicarb, PESTANAL(R), analytical standardQ2731790Isopropyl ((2R)-3-methyl-1-oxo-1-((1-(p-tolyl)ethyl)amino)butan-2-yl)carbamate1217495-52-7
Database identifiers
- PubChem CID
- 16212118
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 388
Chemistry & industry
Uses & manufacturing
Use ClassificationEnvironmental transformation -> Pesticides (parent, predecessor)
Related reactions
2 records
Linked notes
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