N-[8-(adamantane-1-carbonylamino)octyl]adamantane-1-carboxamide

HCID 337304

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Basic information

CAS: 86583-09-7
Standard SMILES: O=C(NCCCCCCCCNC(=O)C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2
InChIKey: VRICXTOVZHGVEU-UHFFFAOYSA-N
Molecular formula: C30H48N2O2
Average molar mass: 468.7 g/mol
Monoisotopic mass: 468.37157878

Names & identifiers

Preferred name: N-[8-(adamantane-1-carbonylamino)octyl]adamantane-1-carboxamide
IUPAC: N-[8-(adamantane-1-carbonylamino)octyl]adamantane-1-carboxamide

Names & synonyms

86583-09-7NSC354687N-[8-(adamantane-1-carbonylamino)octyl]adamantane-1-carboxamideDTXSID50320088AKOS003877584NSC-354687N,N'-(Octane-1,8-diyl)di(adamantane-1-carboxamide)

Database identifiers

CAS: 86583-09-7
PubChem CID: 337304
DTXSID: DTXSID50320088
Nikkaji: J3.192.866D

Properties

Computed structural properties

XLogP: 6.5
Topological polar surface area: 58.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 11
Heavy atoms: 34
Formal charge: 0
Complexity: 627

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