1H-Cyclohepta(b)pyridine-1-propanamide, decahydro-N-(2,6-dimethylphenyl)-, cis-
Basic information
- CAS
39489-93-5- Standard SMILES
Cc1cccc(C)c1NC(=O)CCN1CCC[C@@H]2CCCCC[C@@H]21- InChIKey
AWGRIDQHTQWVAK-OALUTQOASA-N- Molecular formula
- C21H32N2O
- Average molar mass
- 328.5 g/mol
- Monoisotopic mass
- 328.25146365
Names & identifiers
- Preferred name
- 1H-Cyclohepta(b)pyridine-1-propanamide, decahydro-N-(2,6-dimethylphenyl)-, cis-
- IUPAC
- 3-[(4aS,9aS)-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b]pyridin-1-yl]-N-(2,6-dimethylphenyl)propanamide
Names & synonyms
cis-Decahydro-N-(2,6-dimethylphenyl)-1H-cyclohepta(b)pyridine-1-propanamide39489-93-51H-Cyclohepta(b)pyridine-1-propanamide, decahydro-N-(2,6-dimethylphenyl)-, cis-RefChem:237702DTXSID809601183-(Decahydro-1H-cyclohepta[b]pyridin-1-yl)-N-(2,6-dimethylphenyl)propanimidic acid3-[(4aS,9aS)-Decahydro-1H-cyclohepta[b]pyridin-1-yl]-N-(2,6-dimethylphenyl)propanimidic acid
Database identifiers
- CAS
39489-93-5- PubChem CID
- 217701
- DTXSID
DTXSID80960118
Properties
Computed structural properties
- XLogP
- 4.5
- 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
- 401
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Related reactions
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Compound notes
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