Basic information
- CAS
66940-79-2- Standard SMILES
CCC1(CC)C(=O)NC(=O)N(CCc2cc(OC)ccc2OC)C1=O- InChIKey
UAJOMZWNGUKLDS-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-(2,5-dimethoxyphenethyl)-
- IUPAC
- 1-[2-(2,5-dimethoxyphenyl)ethyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione
- English name
- 5,5-Diethyl-1-(2,5-dimethoxyphenethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
- Molecular formula
- C18H24N2O5
- Molecular weight
- 348.39
Names & synonyms
BARBITURIC ACID, 5,5-DIETHYL-1-(2,5-DIMETHOXYPHENETHYL)-66940-79-2BRN 03462145,5-Diethyl-1-(2,5-dimethoxyphenethyl)barbituric acid1-(2,5-Dimethoxy-beta-phenylethyl)-5,5-diethylbarbituric acid1-[2-(2,5-dimethoxyphenyl)ethyl]-5,5-diethyl-1,3-diazinane-2,4,6-trioneDTXSID602170965,5-Diethyl-1-(2,5-dimethoxyphenethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(1H,3H,5H)-Pyrimidinetrione, 1-[2-(2,5-dimethoxyphenyl)ethyl]-5,5-diethyl-
Database identifiers
- CAS
66940-79-2- PubChem CID
- 48427
- DTXSID
DTXSID60217096- Nikkaji
- J105.452J
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
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