Basic information
- CAS
66940-77-0- Standard SMILES
CCC1(CC)C(=O)NC(=O)N(CCc2cccc(OC)c2OC)C1=O- InChIKey
JZOAOAHNNJCXCR-UHFFFAOYSA-N- Molecular formula
- C18H24N2O5
- Average molar mass
- 348.4 g/mol
- Monoisotopic mass
- 348.16852187
Names & identifiers
- Preferred name
- Barbituric acid, 5,5-diethyl-1-(2,3-dimethoxyphenethyl)-
- IUPAC
- 1-[2-(2,3-dimethoxyphenyl)ethyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione
- English name
- 5,5-Diethyl-1-(2,3-dimethoxyphenethyl)barbituric acid
- Molecular formula
- C18H24N2O5
- Molecular weight
- 348.39
Names & synonyms
BRN 034621066940-77-0BARBITURIC ACID, 5,5-DIETHYL-1-(2,3-DIMETHOXYPHENETHYL)-5,5-Diethyl-1-(2,3-dimethoxyphenethyl)barbituric acid1-(2,3-Dimethoxy-beta-phenylethyl)-5,5-diethylbarbituric acidDTXSID402170944-24-00-01915 (Beilstein Handbook Reference)RefChem:320645DTXCID401395851-[2-(2,3-dimethoxyphenyl)ethyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione5,5-Diethyl-1-(2,3-dimethoxyphenethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(1H,3H,5H)-Pyrimidinetrione, 1-[2-(2,3-dimethoxyphenyl)ethyl]-5,5-diethyl-
Database identifiers
- CAS
66940-77-0- PubChem CID
- 48425
- DTXSID
DTXSID40217094- Nikkaji
- J105.450C
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 518
Physicochemical properties
- Density
- 1.15 · 1.150±0.06 g/cm3(Predicted)
- pka
- 8.12 · 8.12±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…