N-[9-(adamantane-1-carbonylamino)nonyl]adamantane-1-carboxamide

HCID 337306

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Basic information

CAS: 86583-11-1
Standard SMILES: O=C(NCCCCCCCCCNC(=O)C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2
InChIKey: VCELPQIJUNFUFW-UHFFFAOYSA-N
Molecular formula: C31H50N2O2
Average molar mass: 482.7 g/mol
Monoisotopic mass: 482.38722884

Names & identifiers

Preferred name: N-[9-(adamantane-1-carbonylamino)nonyl]adamantane-1-carboxamide
IUPAC: N-[9-(adamantane-1-carbonylamino)nonyl]adamantane-1-carboxamide

Names & synonyms

86583-11-1N-[9-(adamantane-1-carbonylamino)nonyl]adamantane-1-carboxamideNSC354689DTXSID20320090AKOS000528353NSC-354689ST51214914N,N'-(Nonane-1,9-diyl)di(adamantane-1-carboxamide)N-[9-(ADAMANTAN-1-YLFORMAMIDO)NONYL]ADAMANTANE-1-CARBOXAMIDE

Database identifiers

CAS: 86583-11-1
PubChem CID: 337306
DTXSID: DTXSID20320090

Properties

Computed structural properties

XLogP: 7.1
Topological polar surface area: 58.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 12
Heavy atoms: 35
Formal charge: 0
Complexity: 642

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