Basic information
- CAS
74401-77-7- Standard SMILES
CCC1(CC)C(=O)C=CN(C(=O)c2cc(OC)cc(OC)c2)C1=O- InChIKey
PJNAPJNFPCARFY-UHFFFAOYSA-N- Molecular formula
- C18H21NO5
- Average molar mass
- 331.4 g/mol
- Monoisotopic mass
- 331.14197277
Names & identifiers
- Preferred name
- 2,4(1H,3H)-Pyridinedione, 3,3-diethyl-1-(3,5-dimethoxybenzoyl)-
- IUPAC
- 1-(3,5-dimethoxybenzoyl)-3,3-diethylpyridine-2,4-dione
Names & synonyms
2,4(1H,3H)-Pyridinedione, 3,3-diethyl-1-(3,5-dimethoxybenzoyl)-1-(3,5-Dimethoxybenzoyl)-3,3-diethyl-2,4-pyridinedione74401-77-7DTXSID60225398RefChem:245262DTXCID601478891-(3,5-Dimethoxybenzoyl)-3,3-diethylpyridine-2,4(1H,3H)-dione
Database identifiers
- CAS
74401-77-7- PubChem CID
- 3058013
- DTXSID
DTXSID60225398
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 526
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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