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N-tert-butyl-2,4-dimethylbenzamide

HCID 925378
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Basic information

Standard SMILES
Cc1ccc(C(=O)NC(C)(C)C)c(C)c1
InChIKey
KGZACQDGTORXLH-UHFFFAOYSA-N
Molecular formula
C13H19NO
Average molar mass
205.3 g/mol
Monoisotopic mass
205.14666423

Names & identifiers

Preferred name
N-tert-butyl-2,4-dimethylbenzamide
IUPAC
N-tert-butyl-2,4-dimethylbenzamide

Names & synonyms

N-(1,1-Dimethylethyl)-2,4-dimethylbenzamide701237-98-1N-tert-butyl-2,4-dimethylbenzamideSCHEMBL4926140KGZACQDGTORXLH-UHFFFAOYSA-NSTK203883N-tert-Butyl-2,4-dimethyl-benzamideAKOS003358036Z54128097

Database identifiers

PubChem CID
925378

Properties

Computed structural propertiesFilling in

XLogP
2.9
Topological polar surface area
29.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
15
Formal charge
0
Complexity
229

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Related reactions

2 records
New reaction record
HRID 658540 reaction equation
HRID 658540As reactantuspto-grants-2011_12
HRID 1569680 reaction equation
HRID 1569680As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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