Home
MCP
Workbench
Skills
More
English
English
Home
Workbench
Notifications
Me
Home
/
Compound
Tert-butyl 2-amino-4-phenoxybenzoate
HCID
58508592
Save
Notes
Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
Substructure search
Find similar structures
Basic information
Standard SMILES
CC(C)(C)OC(=O)c1ccc(Oc2ccccc2)cc1N
InChIKey
NKVRWSWRZNUJSF-UHFFFAOYSA-N
Molecular formula
C17H19NO3
Average molar mass
285.34 g/mol
Names & identifiers
Preferred name
Tert-butyl 2-amino-4-phenoxybenzoate
IUPAC
tert-butyl 2-amino-4-phenoxybenzoate
Names & synonyms
SCHEMBL1316195
NKVRWSWRZNUJSF-UHFFFAOYSA-N
tert-butyl 2-amino-4-phenoxybenzoate
Database identifiers
PubChem CID
58508592
Properties
Computed structural properties
XLogP
4.2
Topological polar surface area
61.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
21
Formal charge
0
Complexity
344
Show all 8
Show all 8 / 8
Related reactions
30 records
New reaction record
All
As reactant
As product
As reagent
As catalyst
As solvent
HRID
88069
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID
99949
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID
205402
As product
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID
281621
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID
306646
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID
806529
As reactant
Test data from https://doi.org/10.1039/C8SC04228D
HRID
829906
As reactant
Test data from https://doi.org/10.1039/C8SC04228D
HRID
837739
As reactant
Test data from https://doi.org/10.1039/C8SC04228D
Show 4 more
Page 1 of 4
Next
Compound notes
Loading…