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Tert-butyl 2-(2-hydroxy-5-phenoxybenzamido)-4-phenylbenzoate

HCID 58508591
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)(C)OC(=O)c1ccc(-c2ccccc2)cc1NC(=O)c1cc(Oc2ccccc2)ccc1O
InChIKey
ORJRFDPIFZURCQ-UHFFFAOYSA-N
Molecular formula
C30H27NO5
Average molar mass
481.5 g/mol
Monoisotopic mass
481.18892296

Names & identifiers

Preferred name
Tert-butyl 2-(2-hydroxy-5-phenoxybenzamido)-4-phenylbenzoate
IUPAC
tert-butyl 2-[(2-hydroxy-5-phenoxybenzoyl)amino]-4-phenylbenzoate

Names & synonyms

SCHEMBL1319258ORJRFDPIFZURCQ-UHFFFAOYSA-Ntert-butyl 2-(2-hydroxy-5-phenoxybenzamido)-4-phenylbenzoate

Database identifiers

PubChem CID
58508591

Properties

Computed structural properties

XLogP
7.5
Topological polar surface area
84.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
8
Heavy atoms
36
Formal charge
0
Complexity
721

Related reactions

4 records
New reaction record
HRID 158807 reaction equation
HRID 158807As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 206798 reaction equation
HRID 206798As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 454633 reaction equation
HRID 454633As productuspto-grants-2013_07
HRID 454634 reaction equation
HRID 454634As reactantuspto-grants-2013_07

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes