Tert-butyl (5-formyl-2-methoxybenzyl)carbamate

HCID 22493931

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: COc1ccc(C=O)cc1CNC(=O)OC(C)(C)C
InChIKey: RKCXLLXYIHVNDK-UHFFFAOYSA-N
Molecular formula: C14H19NO4
Average molar mass: 265.3 g/mol
Monoisotopic mass: 265.13140809

Names & identifiers

Preferred name: Tert-butyl (5-formyl-2-methoxybenzyl)carbamate
IUPAC: tert-butyl N-[(5-formyl-2-methoxyphenyl)methyl]carbamate

Names & synonyms

SCHEMBL4339307RKCXLLXYIHVNDK-UHFFFAOYSA-NDB-115445t-Butyl N-(5-formyl-2-methoxybenzyl)carbamatetert-butyl (5-formyl-2-methoxybenzyl)carbamatetertiary butyl N-(5-formyl-2-methoxybenzyl)carbamate334015-84-8

Database identifiers

PubChem CID: 22493931

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 64.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 19
Formal charge: 0
Complexity: 311

Related reactions

10 records

New reaction record

HRID 151953As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 187719As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 198637As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 1296217As productuspto-grants-2007_07

HRID 1296218As reactantuspto-grants-2007_07

HRID 1816583As productuspto-grants-2005_04

HRID 2138500As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

HRID 2222436As reactantuspto-grants-2008_05

Compound notes

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