N-[7-(adamantane-1-carbonylamino)heptyl]adamantane-1-carboxamide
Basic information
- CAS
86583-08-6- Standard SMILES
O=C(NCCCCCCCNC(=O)C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2- InChIKey
VMZXRSOHZHQOFJ-UHFFFAOYSA-N- Molecular formula
- C29H46N2O2
- Average molar mass
- 454.7 g/mol
- Monoisotopic mass
- 454.35592871
Names & identifiers
- Preferred name
- N-[7-(adamantane-1-carbonylamino)heptyl]adamantane-1-carboxamide
- IUPAC
- N-[7-(adamantane-1-carbonylamino)heptyl]adamantane-1-carboxamide
Names & synonyms
86583-08-6N-[7-(adamantane-1-carbonylamino)heptyl]adamantane-1-carboxamideNSC354686DTXSID90320087AKOS003886023NSC-354686N,N'-(Heptane-1,7-diyl)di(adamantane-1-carboxamide)
Database identifiers
- CAS
86583-08-6- PubChem CID
- 337303
- DTXSID
DTXSID90320087
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 614
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Compound notes
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