N-(4-Phenylbicyclo[2.2.2]oct-1-yl)acetamide
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Basic information
- CAS
10207-07-5- Standard SMILES
CC(=O)NC12CCC(c3ccccc3)(CC1)CC2- InChIKey
VMPACSDMLBCXKA-UHFFFAOYSA-N- Molecular formula
- C16H21NO
- Average molar mass
- 243.34 g/mol
- Monoisotopic mass
- 243.16231429
Names & identifiers
- Preferred name
- N-(4-Phenylbicyclo[2.2.2]oct-1-yl)acetamide
- IUPAC
- N-(4-phenyl-1-bicyclo[2.2.2]octanyl)acetamide
- English name
- N-(4-Phenylbicyclo[2.2.2]oct-1-yl)acetamide
- Molecular formula
- C16H21NO
- Molecular weight
- 243.34
Names & synonyms
N-(4-Phenylbicyclo[2.2.2]oct-1-yl)acetamide10207-07-5N-(4-phenyl-1-bicyclo[2.2.2]octanyl)acetamideAcetamide, N-(4-phenylbicyclo[2.2.2]oct-1-yl)-DTXSID00347124VMPACSDMLBCXKA-UHFFFAOYSA-NN-(4-Phenyl-bicyclo[2.2.2]oct-1-yl)-acetamideN-(4-Phenylbicyclo[2.2.2]oct-1-yl)acetamide #N-(4-Phenylbicyclo[2.2.2]octan-1-yl)acetamideN-acetyl-4-phenylbicyclooct-1-ylamine
Database identifiers
- CAS
10207-07-5- PubChem CID
- 618167
- DTXSID
DTXSID00347124- Nikkaji
- J103.085J
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 305
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical structure
Physicochemical properties
- Melting point
- 231.5 · 231.5-233 °C(Solv: ethanol (64-17-5); water (7732-18-5))
- Boiling point
- 418.8 · 418.8±35.0 °C(Predicted)
- Density
- 1.09 · 1.09±0.1 g/cm3(Predicted)
- pka
- 16.38 · 16.38±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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