Benzenepropanamide, N-(4,8,8-trimethyl-1-azatricyclo(3.3.1.1(sup 3,7))dec-4-yl)-
Basic information
- CAS
86706-07-2- Standard SMILES
CC1(NC(=O)CCc2ccccc2)C2CC3CC1CN(C2)C3(C)C- InChIKey
NTNRUSZQDRVOCG-UHFFFAOYSA-N- Molecular formula
- C21H30N2O
- Average molar mass
- 326.5 g/mol
- Monoisotopic mass
- 326.23581359
Names & identifiers
- Preferred name
- Benzenepropanamide, N-(4,8,8-trimethyl-1-azatricyclo(3.3.1.1(sup 3,7))dec-4-yl)-
- IUPAC
- 3-phenyl-N-(4,8,8-trimethyl-1-azatricyclo[3.3.1.13,7]decan-4-yl)propanamide
Names & synonyms
N-(3-Phenylpropionyl)-4-amino-4,8,8-trimethyl-1-azaadamantane86706-07-2Benzenepropanamide, N-(4,8,8-trimethyl-1-azatricyclo(3.3.1.1(sup 3,7))dec-4-yl)-N-(4,8,8-Trimethyl-1-azatricyclo(3.3.1.1(sup 3,7))dec-4-yl)benzenepropanamideRefChem:325098SCHEMBL10826500DTXSID3010070403-Phenyl-N-(4,8,8-trimethyl-1-azatricyclo[3.3.1.1~3,7~]decan-4-yl)propanimidic acid
Database identifiers
- CAS
86706-07-2- PubChem CID
- 64526
- DTXSID
DTXSID301007040
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 478
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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