N-[4-[2-[4-(adamantane-1-carbonylamino)phenyl]ethyl]phenyl]adamantane-1-carboxamide

HCID 337301

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Basic information

CAS: 86583-15-5
Standard SMILES: O=C(Nc1ccc(CCc2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1)C12CC3CC(CC(C3)C1)C2
InChIKey: VWPFSFOESDTDOI-UHFFFAOYSA-N
Molecular formula: C36H44N2O2
Average molar mass: 536.7 g/mol
Monoisotopic mass: 536.34027865

Names & identifiers

Preferred name: N-[4-[2-[4-(adamantane-1-carbonylamino)phenyl]ethyl]phenyl]adamantane-1-carboxamide
IUPAC: N-[4-[2-[4-(adamantane-1-carbonylamino)phenyl]ethyl]phenyl]adamantane-1-carboxamide

Names & synonyms

86583-15-5NSC354684N-[4-[2-[4-(adamantane-1-carbonylamino)phenyl]ethyl]phenyl]adamantane-1-carboxamideDTXSID30320086NSC-354684N,N'-[Ethane-1,2-diyldi(4,1-phenylene)]di(adamantane-1-carboxamide)

Database identifiers

CAS: 86583-15-5
PubChem CID: 337301
DTXSID: DTXSID30320086

Properties

Computed structural properties

XLogP: 7.7
Topological polar surface area: 58.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 7
Heavy atoms: 40
Formal charge: 0
Complexity: 811

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