Basic information
- CAS
886631-52-3- Standard SMILES
O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1- InChIKey
SIDFGEYTUXEGGJ-UHFFFAOYSA-N- Molecular formula
- C27H33N3O3
- Average molar mass
- 447.6 g/mol
- Monoisotopic mass
- 447.25219192
Names & identifiers
- Preferred name
- 2-(1-adamantyl)-N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]acetamide
- IUPAC
- 2-(1-adamantyl)-N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]acetamide
- English name
- 2-(1-adamantyl)-N-{4-[4-(2-furoyl)-1-piperazinyl]phenyl}acetamide
- Molecular formula
- C27H33N3O3
- Molecular weight
- 447.56922
Names & synonyms
2-(1-adamantyl)-N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]acetamide2-(1-adamantyl)-N-{4-[4-(2-furoyl)-1-piperazinyl]phenyl}acetamideHMS1600H12AKOS000456883AP-970/43375607886631-52-3
Database identifiers
- CAS
886631-52-3- PubChem CID
- 2976461
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 65.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 698
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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