Basic information
- CAS
73680-98-5- Standard SMILES
CCC1(CCC(C)C)C(=O)NC(=O)N(Cc2ccccc2)C1=O- InChIKey
JNFAJTHZJGSFSA-UHFFFAOYSA-N- Molecular formula
- C18H24N2O3
- Average molar mass
- 316.4 g/mol
- Monoisotopic mass
- 316.17869263
Names & identifiers
- Preferred name
- Barbituric acid, 1-benzyl-5-ethyl-5-isopentyl-
- IUPAC
- 1-benzyl-5-ethyl-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione
- English name
- 1-Benzyl-5-ethyl-5-isopentylbarbituric acid
- Molecular weight
- 0
Names & synonyms
73680-98-5BARBITURIC ACID, 1-BENZYL-5-ETHYL-5-ISOPENTYL-RefChem:1077500BRN 03099071-Benzyl-5-ethyl-5-isoamyl barbituric acid1-Benzyl-5-ethyl-5-isopentyl barbituric acid5-24-09-00176 (Beilstein Handbook Reference)DTXSID209945333-Benzyl-5-ethyl-6-hydroxy-5-(3-methylbutyl)pyrimidine-2,4(3H,5H)-dione1-Benzyl-5-ethyl-5-isopentylbarbituric acid1-Benzyl-5-ethyl-5-isopentyl-2,4,6(1H,3H,5H)-pyrimidinetrione
Database identifiers
- CAS
73680-98-5- PubChem CID
- 52172
- DTXSID
DTXSID20994533- Nikkaji
- J93.478J
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 469
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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