Basic information
- CAS
86524-52-9- Standard SMILES
COc1ccc(C2C(C(C)=O)=C(C)NC(C)=C2C(C)=O)cc1- InChIKey
UOSVUXKCHOPSEF-UHFFFAOYSA-N- Molecular formula
- C18H21NO3
- Average molar mass
- 299.4 g/mol
- Monoisotopic mass
- 299.15214353
Names & identifiers
- Preferred name
- Ethanone, 1,1'-(1,4-dihydro-4-(4-methoxyphenyl)-2,6-dimethyl-3,5-pyridinediyl)bis-
- IUPAC
- 1-[5-acetyl-4-(4-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridin-3-yl]ethanone
Names & synonyms
Ethanone, 1,1'-(1,4-dihydro-4-(4-methoxyphenyl)-2,6-dimethyl-3,5-pyridinediyl)bis-EZ8H3N3G2D86524-52-9UNII-EZ8H3N3G2DNSC 150003NSC-150003DTXSID202356351,1'-(1,4-DIHYDRO-4-(4-METHOXYPHENYL)-2,6-DIMETHYL-3,5-PYRIDINEDIYL)BIS(ETHANONE)1,1'-(4-(4-Methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-diyl)diethanone1,1'-[4-(4-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-diyl]diethanoneEthanone, 1,1'-[1,4-dihydro-4-(4-methoxyphenyl)-2,6-dimethyl-3,5-pyridinediyl]bis-RefChem:200836
Show more names
DTXCID50158126NSC150003SCHEMBL78151881-[5-acetyl-4-(4-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridin-3-yl]ethanone3,5-diacetyl-4-(4-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine1,1'-[4-(4-Methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-diyl]di(ethan-1-one)
Database identifiers
- CAS
86524-52-9- PubChem CID
- 288686
- DTXSID
DTXSID20235635- UNII
- EZ8H3N3G2D
- Nikkaji
- J1.340.147K
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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