[2-(3-Cyano-phenyl)-1-methyl-ethyl]-carbamic acid tert-butyl ester

HCID 69068307

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CC(Cc1cccc(C#N)c1)NC(=O)OC(C)(C)C
InChIKey: NOYVLJYLYIDXBZ-UHFFFAOYSA-N
Molecular formula: C15H20N2O2
Average molar mass: 260.33 g/mol
Monoisotopic mass: 260.15247789

Names & identifiers

Preferred name: [2-(3-Cyano-phenyl)-1-methyl-ethyl]-carbamic acid tert-butyl ester
IUPAC: tert-butyl N-[1-(3-cyanophenyl)propan-2-yl]carbamate

Names & synonyms

SCHEMBL4499875NOYVLJYLYIDXBZ-UHFFFAOYSA-N[2-(3-Cyano-phenyl)-1-methyl-ethyl]-carbamic acid tert-butyl ester[2-(3-Cyano-phenyl) -1-methyl-ethyl]-carbamic acid tert-butyl ester

Database identifiers

PubChem CID: 69068307

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 62.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 19
Formal charge: 0
Complexity: 351

Related reactions

4 records

New reaction record

HRID 190988As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 1785425As productuspto-grants-2009_03

HRID 1785426As reactantuspto-grants-2009_03

HRID 2155337As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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