Basic information
- CAS
66940-91-8- Standard SMILES
CCC1(CC)C(=O)NC(=O)N(CCc2ccc(OC)cc2)C1=O- InChIKey
IUWJKEURFLBXIU-UHFFFAOYSA-N- Molecular formula
- C17H22N2O4
- Average molar mass
- 318.4 g/mol
- Monoisotopic mass
- 318.15795719
Names & identifiers
- Preferred name
- Barbituric acid, 5,5-diethyl-1-(4-methoxyphenethyl)-
- IUPAC
- 5,5-diethyl-1-[2-(4-methoxyphenyl)ethyl]-1,3-diazinane-2,4,6-trione
- English name
- 5,5-Diethyl-1-(4-methoxyphenethyl)barbituric acid
- Molecular formula
- C17H22N2O4
- Molecular weight
- 318.37
Names & synonyms
BARBITURIC ACID, 5,5-DIETHYL-1-(4-METHOXYPHENETHYL)-66940-91-8BRN 03232595,5-Diethyl-1-(4-methoxyphenethyl)barbituric acid1-(4-Methoxy-beta-phenylethyl)-5,5-diethylbarbituric acid5,5-diethyl-1-[2-(4-methoxyphenyl)ethyl]-1,3-diazinane-2,4,6-trioneDTXSID902171055,5-Diethyl-1-(4-methoxyphenethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-diethyl-1-[2-(4-methoxyphenyl)ethyl]-
Database identifiers
- CAS
66940-91-8- PubChem CID
- 48439
- DTXSID
DTXSID90217105- Nikkaji
- J105.463E
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 75.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 465
Physicochemical properties
- Density
- 1.141 · 1.141±0.06 g/cm3(Predicted)
- pka
- 8.15 · 8.15±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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