3,8-Diazabicyclo(3.2.1)octane, 3-(2'-(benzoyl)ethyl)-8-propionyl-

HCID 45838

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Basic information

CAS: 63978-11-0
Standard SMILES: CCC(=O)N1C2CCC1CN(CCC(=O)c1ccccc1)C2
InChIKey: JFGILDJCNBOAGG-UHFFFAOYSA-N
Molecular formula: C18H24N2O2
Average molar mass: 300.4 g/mol
Monoisotopic mass: 300.18377801

Names & identifiers

Preferred name: 3,8-Diazabicyclo(3.2.1)octane, 3-(2'-(benzoyl)ethyl)-8-propionyl-
IUPAC: 1-phenyl-3-(8-propanoyl-3,8-diazabicyclo[3.2.1]octan-3-yl)propan-1-one
English name: 3-(2-Benzoylethyl)-8-propionyl-3,8-diazabicyclo[3.2.1]octane
Molecular formula: C18H24N2O2
Molecular weight: 300.4

Names & synonyms

63978-11-0BRN 05439283-(Phenacylmethyl)-8-propionyl-3,8-diazabicyclo(3.2.1)octane5-23-03-00476 (Beilstein Handbook Reference)3,8-DIAZABICYCLO(3.2.1)OCTANE, 3-(2'-(BENZOYL)ETHYL)-8-PROPIONYL-RefChem:2726721-phenyl-3-(8-propanoyl-3,8-diazabicyclo[3.2.1]octan-3-yl)propan-1-oneDTXSID709814583-(2-Benzoylethyl)-8-propionyl-3,8-diazabicyclo[3.2.1]octaneDB-3144341-Propanone, 3-[8-(1-oxopropyl)-3,8-diazabicyclo[3.2.1]oct-3-yl]-1-phenyl-

Database identifiers

CAS: 63978-11-0
PubChem CID: 45838
DTXSID: DTXSID70981458
Nikkaji: J68.400G

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 40.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 22
Formal charge: 0
Complexity: 403

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