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

HCID 337205

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Basic information

CAS: 86583-13-3
Standard SMILES: O=C(Nc1ccc(-c2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1)C12CC3CC(CC(C3)C1)C2
InChIKey: ILVHLALVTJXUII-UHFFFAOYSA-N
Molecular formula: C34H40N2O2
Average molar mass: 508.7 g/mol
Monoisotopic mass: 508.30897852

Names & identifiers

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

Names & synonyms

ST5075237986583-13-3NSC354304DTXSID00320053AKOS002259122NSC-354304N,N'-([1,1'-Biphenyl]-4,4'-diyl)di(adamantane-1-carboxamide)adamantanyl-N-{4-[4-(adamantanylcarbonylamino)phenyl]phenyl}carboxamide

Database identifiers

CAS: 86583-13-3
PubChem CID: 337205
DTXSID: DTXSID00320053

Properties

Computed structural properties

XLogP: 7.1
Topological polar surface area: 58.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 38
Formal charge: 0
Complexity: 782

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