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

HCID 54812

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Basic information

CAS: 82058-26-2
Standard SMILES: CCCCNC(=O)N1C(c2ccccc2)C2C(=O)C(C(c3ccccc3)NC2c2ccccc2)C1c1ccccc1
InChIKey: KCJLMPALOLQKKS-UHFFFAOYSA-N
Molecular formula: C36H37N3O2
Average molar mass: 543.7 g/mol
Monoisotopic mass: 543.28857743

Names & identifiers

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

Names & synonyms

ITA 429BRN 568607582058-26-2N-Butyl-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-BUTYL-9-OXO-2,4,6,8-TETRAPHENYL-RefChem:272542DTXSID801002433N-Butyl-9-oxo-2,4,6,8-tetraphenyl-3,7-diazabicyclo[3.3.1]nonane-3-carboximidic acid

Database identifiers

CAS: 82058-26-2
PubChem CID: 54812
DTXSID: DTXSID801002433
Nikkaji: J68.374D

Properties

Computed structural properties

XLogP: 5.8
Topological polar surface area: 61.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 7
Heavy atoms: 41
Formal charge: 0
Complexity: 797

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