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Benzyl 3-(2-hydroxybenzamido)butan-2-ylcarbamate

HCID 67174902
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(NC(=O)OCc1ccccc1)C(C)NC(=O)c1ccccc1O
InChIKey
CYMNCVFKEYBRPG-UHFFFAOYSA-N
Molecular formula
C19H22N2O4
Average molar mass
342.4 g/mol

Names & identifiers

Preferred name
Benzyl 3-(2-hydroxybenzamido)butan-2-ylcarbamate
IUPAC
benzyl N-[3-[(2-hydroxybenzoyl)amino]butan-2-yl]carbamate

Names & synonyms

SCHEMBL1825050CYMNCVFKEYBRPG-UHFFFAOYSA-Nbenzyl 3-(2-hydroxybenzamido)butan-2-ylcarbamatebenzyl 3-(2-hydroxybenzamido)butane-2-ylcarbamate

Database identifiers

PubChem CID
67174902

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
87.7 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
4
Rotatable bonds
7
Heavy atoms
25
Formal charge
0
Complexity
437

Related reactions

18 records
New reaction record
HRID 85383 reaction equation
HRID 85383As productuspto-grants-2014_09
HRID 85384 reaction equation
HRID 85384As reactantuspto-grants-2014_09
HRID 189300 reaction equation
HRID 189300As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 919148 reaction equation
HRID 919148As productuspto-grants-2016_03
HRID 919149 reaction equation
HRID 919149As reactantuspto-grants-2016_03
HRID 1026873 reaction equation
HRID 1026873As productuspto-grants-2014_05
HRID 1026874 reaction equation
HRID 1026874As reactantuspto-grants-2014_05
HRID 1027662 reaction equation
HRID 1027662As productuspto-grants-2014_05
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Compound notes

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