Barbituric acid, 5,5-diethyl-1-phenethyl-
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Basic information
- CAS
66940-96-3- Standard SMILES
CCC1(CC)C(=O)NC(=O)N(CCc2ccccc2)C1=O- InChIKey
LPKCOSYKODKOEX-UHFFFAOYSA-N- Molecular formula
- C16H20N2O3
- Average molar mass
- 288.34 g/mol
- Monoisotopic mass
- 288.1473925
Names & identifiers
- Preferred name
- Barbituric acid, 5,5-diethyl-1-phenethyl-
- IUPAC
- 5,5-diethyl-1-(2-phenylethyl)-1,3-diazinane-2,4,6-trione
- English name
- 5,5-Diethyl-1-phenethylbarbituric acid
- Molecular formula
- C16H20N2O3
- Molecular weight
- 288.34
Names & synonyms
5,5-Diethyl-1-phenethylbarbituric acidBRN 0288464BARBITURIC ACID, 5,5-DIETHYL-1-PHENETHYL-66940-96-3DTXSID102171074-24-00-01912 (Beilstein Handbook Reference)RefChem:320659DTXCID701395985,5-diethyl-1-(2-phenylethyl)-1,3-diazinane-2,4,6-trione5,5-Diethyl-1-phenethyl-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-diethyl-1-(2-phenylethyl)-
Database identifiers
- CAS
66940-96-3- PubChem CID
- 48444
- DTXSID
DTXSID10217107- Nikkaji
- J105.467H
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 423
Related reactions
0 records
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Compound notes
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