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

HCID 54815

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Basic information

CAS: 82058-29-5
Standard SMILES: CCNC(=O)N1C(c2ccccc2)C2C(=O)C(C)(C(c3ccccc3)NC2c2ccccc2)C1c1ccccc1
InChIKey: KGWHPLGFLUSYBT-UHFFFAOYSA-N
Molecular formula: C35H35N3O2
Average molar mass: 529.7 g/mol
Monoisotopic mass: 529.27292737

Names & identifiers

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

Names & synonyms

ITA 432BRN 567807182058-29-5N-Ethyl-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-ethyl-5-methyl-9-oxo-2,4,6,8-tetraphenyl-RefChem:272544DTXSID901002436N-Ethyl-1-methyl-9-oxo-2,4,6,8-tetraphenyl-3,7-diazabicyclo[3.3.1]nonane-3-carboximidic acid

Database identifiers

CAS: 82058-29-5
PubChem CID: 54815
DTXSID: DTXSID901002436
Nikkaji: J68.378G

Properties

Computed structural properties

XLogP: 5.3
Topological polar surface area: 61.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 40
Formal charge: 0
Complexity: 868

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