Basic information
- CAS
66940-74-7- Standard SMILES
C=CCC1(CC=C)C(=O)NC(=O)N(CC(=O)N(CC)CC)C1=O- InChIKey
CUAFNQYQUIWZFW-UHFFFAOYSA-N- Molecular formula
- C16H23N3O4
- Average molar mass
- 321.37 g/mol
- Monoisotopic mass
- 321.16885622
Names & identifiers
- Preferred name
- Barbituric acid, 5,5-diallyl-1-(N,N-diethylcarbamoylmethyl)-
- IUPAC
- N,N-diethyl-2-[2,4,6-trioxo-5,5-bis(prop-2-enyl)-1,3-diazinan-1-yl]acetamide
- English name
- 5,5-Diallyl-1-(N,N-diethylcarbamoylmethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
- Molecular weight
- 0
Names & synonyms
BRN 0310275BARBITURIC ACID, 5,5-DIALLYL-1-(N,N-DIETHYLCARBAMOYLMETHYL)-5,5-Diallyl-1-(N,N-diethylcarbamoylmethyl)barbituric acid66940-74-7DTXSID202170924-24-00-02037 (Beilstein Handbook Reference)RefChem:320637DTXCID20139583N,N-Diethyl-2-[2,4,6-trioxo-5,5-di(prop-2-en-1-yl)-1,3-diazinan-1-yl]acetamide5,5-Diallyl-1-(N,N-diethylcarbamoylmethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione5,5-Diallyl-1-(diethylaminocarbonylmethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
Database identifiers
- CAS
66940-74-7- PubChem CID
- 48422
- DTXSID
DTXSID20217092- Nikkaji
- J105.444I
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 86.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 527
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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