Valeranilide, 2,2-dimethyl-3'-hydroxy-, tert-butylcarbamate (ester)
Basic information
- CAS
17795-80-1- Standard SMILES
CCCC(C)(C)C(=O)Nc1cccc(OC(=O)NC(C)(C)C)c1- InChIKey
PNJZAJBZQHXCMJ-UHFFFAOYSA-N- Molecular formula
- C18H28N2O3
- Average molar mass
- 320.4 g/mol
- Monoisotopic mass
- 320.20999276
Names & identifiers
- Preferred name
- Valeranilide, 2,2-dimethyl-3'-hydroxy-, tert-butylcarbamate (ester)
- IUPAC
- [3-(2,2-dimethylpentanoylamino)phenyl] N-tert-butylcarbamate
- English name
- 2,2-Dimethyl-N-[3-(N-tert-butylcarbamoyloxy)phenyl]valeramide
- Molecular formula
- C18H28N2O3
- Molecular weight
- 320.43
Names & synonyms
17795-80-1Valeranilide, 2,2-dimethyl-3'-hydroxy-, tert-butylcarbamate (ester)m-(2,2-Dimethylvaleramido)phenyl tert-butylcarbamateNSC 222536BRN 2162729Valeranilide, 2,2-dimethyl-3'-hydroxy-, tert-butylcarbamateValeranilide, 3'-hydroxy-2,2-dimethyl-, tert-butylcarbamateDTXSID90170403Valeranilide, 3'-hydroxy-2,2-dimethyl-, tert-butylcarbamate (ester)Carbamic acid, tert-butyl-, ester with 2,2-dimethyl-3'-hydroxyvaleranilideCarbamic acid, (1,1-dimethylethyl)-, 3-((3,2-dimethyl-1-oxopentyl)amino)phenyl esterCarbamic acid, (1,1-dimethylethyl)-, 3-((2,2-dimethyl-1-oxopentyl)amino)phenyl ester
Show more names
N-tert-Butylcarbamic acid 3-[(2,2-dimethylvaleryl)amino]phenyl esterCarbamic acid, (1,1-dimethylethyl)-, 3-[(2,2-dimethyl-1-oxopentyl)amino]phenyl ester (9CI)
RefChem:388243DTXCID3092894Carbamic acid, (1,1-dimethylethyl)-, 3-((2,2-dimethyl-1-oxopentyl)amino)phenyl ester (9CI)[3-(2,2-dimethylpentanoylamino)phenyl] N-tert-butylcarbamateorb19852142,2-Dimethyl-N-[3-(N-tert-butylcarbamoyloxy)phenyl]valeramideNSC222536AKOS040754322
Database identifiers
- CAS
17795-80-1- PubChem CID
- 99429
- DTXSID
DTXSID90170403- Nikkaji
- J49.616B
Properties
Computed structural properties
- XLogP
- 3.9
- 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
- 413
Chemistry & industry
Applications
DescriptionNSC222536, also known as Valeranilide, 2,2-dimethyl-3'-hydroxy-, tert-butylcarbamate (ester), is a useful chemical as herbicider
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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