Basic information
- CAS
17148-43-5- Standard SMILES
CC(=O)CCC1C(=O)NC(=O)N(C2CCCCC2)C1=O- InChIKey
OLQWIHDEPVAPJQ-UHFFFAOYSA-N- Molecular formula
- C14H20N2O4
- Average molar mass
- 280.32 g/mol
- Monoisotopic mass
- 280.14230712
Names & identifiers
- Preferred name
- Barbituric acid, 1-cyclohexyl-5-(3-oxobutyl)-
- IUPAC
- 1-cyclohexyl-5-(3-oxobutyl)-1,3-diazinane-2,4,6-trione
- English name
- 1-Cyclohexyl-5-(3-oxobutyl)barbituric acid
- Molecular formula
- C14H20N2O4
- Molecular weight
- 280.32
Names & synonyms
17148-43-5BARBITURIC ACID, 1-CYCLOHEXYL-5-(3-OXOBUTYL)-RefChem:10775041-Cyclohexyl-5-(3-oxobutyl)barbituric acidBRN 07593791-cyclohexyl-5-(3-oxobutyl)-1,3-diazinane-2,4,6-trione1-Cyclohexyl-5-(3-oxobutyl)perhydropyrimidine-2,4,6-trioneDTXSID909379923-Cyclohexyl-6-hydroxy-5-(3-oxobutyl)pyrimidine-2,4(3H,5H)-dione2,4,6(1H,3H,5H)-Pyrimidinetrione, 1-cyclohexyl-5-(3-oxobutyl)-
Database identifiers
- CAS
17148-43-5- PubChem CID
- 28339
- DTXSID
DTXSID90937992- Nikkaji
- J62.438A
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 440
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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