3-tert-Butylamino-4-(3,4-dimethyl-benzylamino)-cyclobut-3-ene-1,2-dione

HCID 17819359
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Basic information

Standard SMILES
Cc1ccc(CNc2c(NC(C)(C)C)c(=O)c2=O)cc1C
InChIKey
ICXKLGSFOLZYIN-UHFFFAOYSA-N
Molecular formula
C17H22N2O2
Average molar mass
286.37 g/mol
Monoisotopic mass
286.16812795

Names & identifiers

Preferred name
3-tert-Butylamino-4-(3,4-dimethyl-benzylamino)-cyclobut-3-ene-1,2-dione
IUPAC
3-(tert-butylamino)-4-[(3,4-dimethylphenyl)methylamino]cyclobut-3-ene-1,2-dione

Names & synonyms

SCHEMBL7895730ICXKLGSFOLZYIN-UHFFFAOYSA-N3-tert-Butylamino-4-(3,4-dimethyl-benzylamino)-cyclobut-3-ene-1,2-dione

Database identifiers

PubChem CID
17819359

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
58.2 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
21

Related reactions

2 records
New reaction record

Compound notes

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