Basic information
- CAS
86706-11-8- Standard SMILES
CC1(NC(=O)CC(c2ccccc2)c2ccccc2)C2CC3CC1CN(C2)C3(C)C- InChIKey
MCODFVMBFULDSV-UHFFFAOYSA-N- Molecular formula
- C27H34N2O
- Average molar mass
- 402.6 g/mol
- Monoisotopic mass
- 402.26711371
Names & identifiers
- Preferred name
- Benzenepropanamide, beta-phenyl-N-(4,8,8-trimethyl-1-azatricyclo(3.3.1.1(sup 3,7))dec-4-yl)-
- IUPAC
- 3,3-diphenyl-N-(4,8,8-trimethyl-1-azatricyclo[3.3.1.13,7]decan-4-yl)propanamide
Names & synonyms
N-(3,3-Diphenylpropionyl)-4-amino-4,8,8-trimethyl-1-azaadamantane86706-11-8Benzenepropanamide, beta-phenyl-N-(4,8,8-trimethyl-1-azatricyclo(3.3.1.1(sup 3,7))dec-4-yl)-beta-Phenyl-N-(4,8,8-trimethyl-1-azatricyclo(3.3.1.1(sup 3,7))dec-4-yl)benzenepropanamideRefChem:325086SCHEMBL10826704DTXSID7010070423,3-Diphenyl-N-(4,8,8-trimethyl-1-azatricyclo[3.3.1.1~3,7~]decan-4-yl)propanimidic acid
Database identifiers
- CAS
86706-11-8- PubChem CID
- 64528
- DTXSID
DTXSID701007042
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 597
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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