3-Ethoxy-4-(1,1-dimethyl-propylamino)-cyclobut-3-ene-1,2-dione

HCID 17819403

Basic information

Standard SMILES
CCOc1c(NC(C)(C)CC)c(=O)c1=O
InChIKey
OKKGGLMPYHUFDT-UHFFFAOYSA-N
Molecular formula
C11H17NO3
Average molar mass
211.26 g/mol

Names & identifiers

Preferred name
3-Ethoxy-4-(1,1-dimethyl-propylamino)-cyclobut-3-ene-1,2-dione
IUPAC
3-ethoxy-4-(2-methylbutan-2-ylamino)cyclobut-3-ene-1,2-dione

Names & synonyms

SCHEMBL7599517OKKGGLMPYHUFDT-UHFFFAOYSA-NAKOS002024640CCG-183930202521-88-8DB-2829183-Cyclobutene-1,2-dione, 3-[(1,1-dimethylpropyl)amino]-4-ethoxy-3-ethoxy-4-(1,1 -dimethyl-propylamino)-cyclobut-3-ene- 1,2-dione3-Ethoxy-4-(1,1-dimethyl-propylamino)-cyclobut-3-ene-1,2-dione

Database identifiers

PubChem CID
17819403

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
55.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
15

Related reactions

5 records

Compound notes

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