Legurame
Basic information
- CAS
16118-45-9- Standard SMILES
CCNC(=O)C(C)OC(=O)Nc1ccccc1- InChIKey
AMRQXHFXNZFDCH-UHFFFAOYSA-N- Molecular formula
- C12H16N2O3
- Average molar mass
- 236.27 g/mol
- Monoisotopic mass
- 236.11609238
Overview
See also: Carbetamide (annotation moved to) ... View More ...
Names & identifiers
- Preferred name
- Legurame
- IUPAC
- [1-(ethylamino)-1-oxopropan-2-yl] N-phenylcarbamate
- English name
- N-Ethyl-2-(phenylcarbamoyloxy)propanamide
- Molecular formula
- C12H16N2O3
- Molecular weight
- 236.27
Names & synonyms
Legurame16118-45-9[1-(ethylamino)-1-oxopropan-2-yl] N-phenylcarbamate11,561 RPLactamide, N-ethyl-, carbanilate (ester), D-N-Phenyl-1-(ethylcarbamoyl-1)-ethylcarbamate, D isomerCarbanilic acid, (1-ethylcarbamoyl)ethyl ester, D-(-)-Propanamide, N-ethyl-2-[[(phenylamino)carbonyl]oxy]-, (R)-N-Ethyl-2-(phenylcarbamoyloxy)propanamideN-ethyl-2-(phenylcarbamoyl)-oxypropionic acid amideLactamide, N-ethyl-, carbanilate (ester)SCHEMBL54187
Show more names
Propanamide, N-ethyl-2-[[(phenylamino)carbonyl]oxy]-
CHEMBL3185037DTXCID5021756DTXSID401021847Tox21_301562EBC-12366AKOS01588843311561RPNCGC00255702-01
Database identifiers
- CAS
16118-45-9- PubChem CID
- 27689
- DTXSID
DTXSID401021847- ChEMBL
CHEMBL3185037- Nikkaji
- J126.528H
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 262
Experimental & physicochemical properties
Pesticides
Environmental transformation -> Pesticides (parent, predecessor)
Herbicides
Human DrugsPharmaceuticals
Collision Cross Section166.63 Ų [M+Na]+
Physicochemical properties
- Boiling point
- 378.4 · 378.4±25.0 °C(Predicted)
- Density
- 1.174 · 1.174±0.06 g/cm3(Predicted)
- pka
- 13.22 · 13.22±0.70(Predicted)
Chemistry & industry
Uses & manufacturing
Use Classification
Herbicides
Environmental transformation -> Pesticides (parent, predecessor)
Pharmaceuticals
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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