2-(4-tert-butylphenyl)-1-[3-(diethylamino)propyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
Basic information
- CAS
4844-52-4- Standard SMILES
CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)C1c1ccc(C(C)(C)C)cc1- InChIKey
GBXZLOJGMZLFIS-UHFFFAOYSA-N- Molecular formula
- C27H36N2O4
- Average molar mass
- 452.6 g/mol
- Monoisotopic mass
- 452.26750763
Names & identifiers
- Preferred name
- 2-(4-tert-butylphenyl)-1-[3-(diethylamino)propyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
- IUPAC
- 2-(4-tert-butylphenyl)-1-[3-(diethylamino)propyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
Names & synonyms
2-(4-tert-butylphenyl)-1-[3-(diethylamino)propyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one4844-52-4615277-61-7AC1NPTBWDTXSID30410133AKOS002179378AKOS016296934ST500688741-[3-(diethylamino)propyl]-5-[4-(tert-butyl)phenyl]-3-hydroxy-4-[(5-methyl(2-f uryl))carbonyl]-3-pyrrolin-2-one5-(4-(tert-butyl)phenyl)-1-(3-(diethylamino)propyl)-3-hydroxy-4-(5-methylfuran-2-carbonyl)-1H-pyrrol-2(5H)-one5-(4-tert-Butylphenyl)-1-[3-(diethylamino)propyl]-3-hydroxy-4-(5-methylfuran-2-carbonyl)-1,5-dihydro-2H-pyrrol-2-one
Database identifiers
- CAS
4844-52-4- PubChem CID
- 5209747
- DTXSID
DTXSID30410133
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 74 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 729
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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