1,3-Bis(3-methylbutyl)-5-(3-methyl-1-oxobutyl)barbituric acid
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Basic information
- Standard SMILES
CC(C)CCN1C(=O)C(C(=O)CC(C)C)C(=O)N(CCC(C)C)C1=O- InChIKey
RQUBZZXYBRXLKG-UHFFFAOYSA-N- Molecular formula
- C19H32N2O4
- Average molar mass
- 352.5 g/mol
- Monoisotopic mass
- 352.23620751
Names & identifiers
- Preferred name
- 1,3-Bis(3-methylbutyl)-5-(3-methyl-1-oxobutyl)barbituric acid
- IUPAC
- 5-(3-methylbutanoyl)-1,3-bis(3-methylbutyl)-1,3-diazinane-2,4,6-trione
Names & synonyms
SCHEMBL7658136RQUBZZXYBRXLKG-UHFFFAOYSA-N1,3-bis(3-methylbutyl)-5-(3-methyl-1-oxobutyl)barbituric acid
Database identifiers
- PubChem CID
- 9884875
Properties
Computed structural propertiesFilling in
- XLogP
- 3.8
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 492
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Related reactions
2 records
Compound notes
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