Diethyl acetamido[(2-ethyl-5-methyl-3-oxo-1,2-oxazolidin-4-yl)methyl]propanedioate
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Basic information
- CAS
127020-33-1- Standard SMILES
CCOC(=O)C(CC1C(=O)N(CC)OC1C)(NC(C)=O)C(=O)OCC- InChIKey
PXWVUVOKSNIQAN-UHFFFAOYSA-N- Molecular formula
- C16H26N2O7
- Average molar mass
- 358.39 g/mol
- Monoisotopic mass
- 358.17400117
Names & identifiers
- Preferred name
- Diethyl acetamido[(2-ethyl-5-methyl-3-oxo-1,2-oxazolidin-4-yl)methyl]propanedioate
- IUPAC
- diethyl 2-acetamido-2-[(2-ethyl-5-methyl-3-oxo-1,2-oxazolidin-4-yl)methyl]propanedioate
- English name
- ETHYL 2-ACETAMIDO-2-ETHOXYCARBONYL-3-(2-ETHYL-5-METHYL-3-OXOISOXAZOLIN-4-YL) PROPIONATE
- Molecular formula
- C16H24N2O7
- Molecular weight
- 356.37
Names & synonyms
Propanedioic acid,2-(acetylamino)-2-[(2-ethyl-2,3-dihydro-5-methyl-3-oxo-4-isoxazolyl)methyl]-,1,3-diethyl esterDTXSID10721451AKOS030254338diethyl 2-acetamido-2-[(2-ethyl-5-methyl-3-oxo-1,2-oxazolidin-4-yl)methyl]propanedioateDiethyl acetamido[(2-ethyl-5-methyl-3-oxo-1,2-oxazolidin-4-yl)methyl]propanedioateDB-319354ETHYL 2-ACETAMIDO-2-ETHOXYCARBONYL-3-(2-ETHYL-5-METHYL-3-OXOISOXAZOLIN-4-YL) PROPIONATE2-Acetylamino-2-(2-ethyl-5-methyl-3-oxo-2,3-dihydro-isoxazol-4-ylmethyl)-malonicAcidDiethylEsterPropanedioic acid, 2-(acetylamino)-2-[(2-ethyl-2,3-dihydro-5-methyl-3-oxo-4-isoxazolyl)methyl]-, 1,3-diethyl ester
Database identifiers
- CAS
127020-33-1- PubChem CID
- 57347367
- DTXSID
DTXSID10721451
Properties
Computed structural propertiesFilling in
- XLogP
- 0.6
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 517
Physicochemical properties
- Density
- 1.2 · 1.200±0.06 g/cm3(Predicted)
- solubility
- Acetone, Chloroform, Dichloromethane, Ethanol, Ethyl Acetate, Methanol
- form
- Solid
- pka
- 11.83 · 11.83±0.46(Predicted)
- color
- Off-White
- CAS DataBase Reference
- 127020 · 127020-33-1
Chemistry & industry
Applications
UsesEthyl 2-Acetamido-2-ethoxycarbonyl-3-(2-ethyl-5-methyl-3-oxoisoxazolin-4-yl)_x000D_propionate (cas# 127020-33-1) is a compound useful in organic synthesis.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
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Compound notes
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