Ethyl 3-benzoylamino-3-isobutyrylpropionate

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Basic information

CAS: 119902-28-2
Standard SMILES: CCOC(=O)CC(NC(=O)c1ccccc1)C(=O)C(C)C
InChIKey: SOXCGJAQMFBSPH-UHFFFAOYSA-N
Molecular formula: C16H21NO4
Average molar mass: 291.34 g/mol
Monoisotopic mass: 291.14705815

Names & identifiers

Preferred name: Ethyl 3-benzoylamino-3-isobutyrylpropionate
IUPAC: ethyl 3-benzamido-5-methyl-4-oxohexanoate

Names & synonyms

ethyl 3-benzoylamino-3-isobutyrylpropionateSCHEMBL11008452SOXCGJAQMFBSPH-UHFFFAOYSA-NDTXSID001248534119902-28-2ethyl 3-benzamido-5-methyl-4-oxohexanoateEthyl 3-(benzoylamino)-5-methyl-4-oxohexanoate

Database identifiers

CAS: 119902-28-2
PubChem CID: 13488802
DTXSID: DTXSID001248534

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 72.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 21
Formal charge: 0
Complexity: 372

Related reactions

3 records

New reaction record

HRID 313597As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 485004As reactantuspto-grants-1985_08

HRID 485020As productuspto-grants-1985_08

Compound notes

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