3,7-Diazabicyclo(3.3.1)nonane-3-carboxamide, N-tert-butyl-5-methyl-9-oxo-2,4,6,8-tetraphenyl-

HCID 54817

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Basic information

CAS: 82058-31-9
Standard SMILES: CC(C)(C)NC(=O)N1C(c2ccccc2)C2C(=O)C(C)(C(c3ccccc3)NC2c2ccccc2)C1c1ccccc1
InChIKey: GJTLMSYMIOFFEC-UHFFFAOYSA-N
Molecular formula: C37H39N3O2
Average molar mass: 557.7 g/mol
Monoisotopic mass: 557.3042275

Names & identifiers

Preferred name: 3,7-Diazabicyclo(3.3.1)nonane-3-carboxamide, N-tert-butyl-5-methyl-9-oxo-2,4,6,8-tetraphenyl-
IUPAC: N-tert-butyl-1-methyl-9-oxo-2,4,6,8-tetraphenyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide

Names & synonyms

ITA 434BRN 568173282058-31-9N-tert-Butyl-5-methyl-9-oxo-2,4,6,8-tetraphenyl-3,7-diazabicyclo(3.3.1)nonane-3-carboxamide3,7-Diazabicyclo(3.3.1)nonane-3-carboxamide, N-tert-butyl-5-methyl-9-oxo-2,4,6,8-tetraphenyl-RefChem:272549DTXSID301002438N-tert-Butyl-1-methyl-9-oxo-2,4,6,8-tetraphenyl-3,7-diazabicyclo[3.3.1]nonane-3-carboximidic acid

Database identifiers

CAS: 82058-31-9
PubChem CID: 54817
DTXSID: DTXSID301002438
Nikkaji: J68.373F

Properties

Computed structural properties

XLogP: 5.9
Topological polar surface area: 61.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 42
Formal charge: 0
Complexity: 935

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