tert-Butyl (4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]oxazepin-3-yl)carbamate

HCID 54323945

Notes Reactions

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Basic information

Standard SMILES: CC(C)(C)OC(=O)NC1COc2ccccc2NC1=O
InChIKey: STPHEUUFTOGKNY-UHFFFAOYSA-N
Molecular formula: C14H18N2O4
Average molar mass: 278.3 g/mol
Monoisotopic mass: 278.12665706

Names & identifiers

Preferred name: tert-Butyl (4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]oxazepin-3-yl)carbamate
IUPAC: tert-butyl N-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)carbamate

Names & synonyms

tert-Butyl (4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]oxazepin-3-yl)carbamate239097-68-8SCHEMBL1561667Carbamic acid, [(3S)-2,3,4,5-tetrahydro-4-oxo-1,5-benzoxazepin-3-yl]-, 1,1-dimethylethyl estertert-butyl N-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)carbamate

Database identifiers

PubChem CID: 54323945

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 76.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 20
Formal charge: 0
Complexity: 378

Related reactions

4 records

New reaction record

HRID 292296As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 2131808As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

HRID 2160893As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

HRID 2336588As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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