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4-tert-Butyl-N-(2-hydroxy-1,1-dimethyl-ethyl)-benzamide

HCID 320076
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CC(C)(CO)NC(=O)c1ccc(C(C)(C)C)cc1
InChIKey
OFDOPFXVTJZHLX-UHFFFAOYSA-N
Molecular formula
C15H23NO2
Average molar mass
249.35 g/mol

Names & identifiers

Preferred name
4-tert-Butyl-N-(2-hydroxy-1,1-dimethyl-ethyl)-benzamide
IUPAC
4-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)benzamide

Names & synonyms

NSC266251Enamine_004936Oprea1_362290SCHEMBL706443OFDOPFXVTJZHLX-UHFFFAOYSA-NHMS1408A08AKOS001059754NSC-266251IDI1_007523DB-212237SR-01000276716SR-01000276716-1
Show more names
Z568796994-tert-Butyl-N-(2-hydroxy-1,1-dimethyl-ethyl)-benzamide4-(1,1-Dimethylethyl)-N-(2-hydroxy-1,1-dimethylethyl)benzamide438481-01-7

Database identifiers

PubChem CID
320076

Properties

Computed structural propertiesFilling in

XLogP
2.8
Topological polar surface area
49.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
18
Formal charge
0
Complexity
283

Related reactions

16 records
New reaction record
HRID 68460 reaction equation
HRID 68460As productuspto-grants-2014_09
HRID 68461 reaction equation
HRID 68461As reactantuspto-grants-2014_09
HRID 159830 reaction equation
HRID 159830As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 407600 reaction equation
HRID 407600As productuspto-grants-2014_06
HRID 407601 reaction equation
HRID 407601As reactantuspto-grants-2014_06
HRID 600363 reaction equation
HRID 600363As productuspto-grants-2011_03
HRID 600364 reaction equation
HRID 600364As reactantuspto-grants-2011_03
HRID 816690 reaction equation
HRID 816690As reactantTest data from https://doi.org/10.1039/C8SC04228D
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Compound notes

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