N,N'-(Pentane-1,5-diyl)di(tricyclo[3.3.1.1~3,7~]decane-1-carboxamide)

HCID 337206

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Basic information

CAS: 86583-06-4
Standard SMILES: O=C(NCCCCCNC(=O)C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2
InChIKey: MCDFFPDKTCJLDL-UHFFFAOYSA-N
Molecular formula: C27H42N2O2
Average molar mass: 426.6 g/mol
Monoisotopic mass: 426.32462859

Names & identifiers

Preferred name: N,N'-(Pentane-1,5-diyl)di(tricyclo[3.3.1.1~3,7~]decane-1-carboxamide)
IUPAC: N-[5-(adamantane-1-carbonylamino)pentyl]adamantane-1-carboxamide

Names & synonyms

86583-06-4NSC613197DTXSID60320054NSC354305N,N'-(Pentane-1,5-diyl)di(tricyclo[3.3.1.1~3,7~]decane-1-carboxamide)NSC-354305NSC-613197N,N'-(Pentane-1,5-diyl)di(adamantane-1-carboxamide)

Database identifiers

CAS: 86583-06-4
PubChem CID: 337206
DTXSID: DTXSID60320054

Properties

Computed structural properties

XLogP: 5.1
Topological polar surface area: 58.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 8
Heavy atoms: 31
Formal charge: 0
Complexity: 586

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