3,7-Diazabicyclo(3.3.1)nonane-3-carboxamide, N-ethyl-9-oxo-2,4,6,8-tetrakis(p-methoxyphenyl)-

HCID 54825

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Basic information

CAS: 82058-39-7
Standard SMILES: CCNC(=O)N1C(c2ccc(OC)cc2)C2C(=O)C(C(c3ccc(OC)cc3)NC2c2ccc(OC)cc2)C1c1ccc(OC)cc1
InChIKey: XHYLCUXDQNYRPI-UHFFFAOYSA-N
Molecular formula: C38H41N3O6
Average molar mass: 635.7 g/mol
Monoisotopic mass: 635.29953604

Names & identifiers

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

Names & synonyms

ITA 471BRN 569984082058-39-73,7-Diazabicyclo(3.3.1)nonane-3-carboxamide, N-ethyl-9-oxo-2,4,6,8-tetrakis(p-methoxyphenyl)-RefChem:272547DTXSID501002446N-Ethyl-2,4,6,8-tetrakis(4-methoxyphenyl)-9-oxo-3,7-diazabicyclo[3.3.1]nonane-3-carboximidic acid

Database identifiers

CAS: 82058-39-7
PubChem CID: 54825
DTXSID: DTXSID501002446
Nikkaji: J68.381G

Properties

Computed structural properties

XLogP: 4.8
Topological polar surface area: 98.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 9
Heavy atoms: 47
Formal charge: 0
Complexity: 945

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