Basic information
- CAS
66940-90-7- Standard SMILES
CCC1(CC)C(=O)NC(=O)N(CCc2cccc(OC)c2)C1=O- InChIKey
YCTISSXMLCTXEC-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-(3-methoxyphenethyl)-
- IUPAC
- 5,5-diethyl-1-[2-(3-methoxyphenyl)ethyl]-1,3-diazinane-2,4,6-trione
- English name
- 5,5-Diethyl-1-(3-methoxyphenethyl)barbituric acid
- Molecular weight
- 0
Names & synonyms
BARBITURIC ACID, 5,5-DIETHYL-1-(3-METHOXYPHENETHYL)-66940-90-7BRN 03238325,5-Diethyl-1-(3-methoxyphenethyl)barbituric acid1-(3-Methoxy-beta-phenylethyl)-5,5-diethylbarbituric acid5,5-diethyl-1-[2-(3-methoxyphenyl)ethyl]-1,3-diazinane-2,4,6-trioneDTXSID302171045,5-Diethyl-1-(3-methoxyphenethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
Database identifiers
- CAS
66940-90-7- PubChem CID
- 48438
- DTXSID
DTXSID30217104- Nikkaji
- J105.462G
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
- 473
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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