2-(methoxymethyl)-2-[[2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methoxymethyl]-1-azabicyclo[2.2.2]octan-3-one

C20H32N2O5 — CID 165145394

IUPAC2-(methoxymethyl)-2-[[2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methoxymethyl]-1-azabicyclo[2.2.2]octan-3-one
SMILESCOCC1(COCC2(COC)C(=O)C3CCN2CC3)C(=O)C2CCN1CC2
InChIInChI=1S/C20H32N2O5/c1-25-11-19(17(23)15-3-7-21(19)8-4-15)13-27-14-20(12-26-2)18(24)16-5-9-22(20)10-6-16/h15-16H,3-14H2,1-2H3
InChIKeyXVJBOJSOUMCTFR-UHFFFAOYSA-N
MW380.49 g/mol
LogP0.36
Rot. Bonds8

About 2-(methoxymethyl)-2-[[2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methoxymethyl]-1-azabicyclo[2.2.2]octan-3-one

2-(methoxymethyl)-2-[[2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methoxymethyl]-1-azabicyclo[2.2.2]octan-3-one (PubChem CID 165145394) has the molecular formula C20H32N2O5 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-(methoxymethyl)-2-[[2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methoxymethyl]-1-azabicyclo[2.2.2]octan-3-one.

Molecular Properties

Compound Name2-(methoxymethyl)-2-[[2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methoxymethyl]-1-azabicyclo[2.2.2]octan-3-one
PubChem CID165145394
Molecular FormulaC20H32N2O5
Molecular Weight380.49 g/mol
Exact Mass380.23
IUPAC Name2-(methoxymethyl)-2-[[2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methoxymethyl]-1-azabicyclo[2.2.2]octan-3-one
SMILESCOCC1(COCC2(COC)C(=O)C3CCN2CC3)C(=O)C2CCN1CC2
InChIInChI=1S/C20H32N2O5/c1-25-11-19(17(23)15-3-7-21(19)8-4-15)13-27-14-20(12-26-2)18(24)16-5-9-22(20)10-6-16/h15-16H,3-14H2,1-2H3
InChIKeyXVJBOJSOUMCTFR-UHFFFAOYSA-N
XLogP0.36
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(methoxymethyl)-2-[[2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methoxymethyl]-1-azabicyclo[2.2.2]octan-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-2-[[2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methoxymethyl]-1-azabicyclo[2.2.2]octan-3-one?
The IUPAC name of 2-(methoxymethyl)-2-[[2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methoxymethyl]-1-azabicyclo[2.2.2]octan-3-one (CID 165145394) is 2-(methoxymethyl)-2-[[2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methoxymethyl]-1-azabicyclo[2.2.2]octan-3-one.
What is the SMILES notation for 2-(methoxymethyl)-2-[[2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methoxymethyl]-1-azabicyclo[2.2.2]octan-3-one?
The canonical SMILES for 2-(methoxymethyl)-2-[[2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methoxymethyl]-1-azabicyclo[2.2.2]octan-3-one is COCC1(COCC2(COC)C(=O)C3CCN2CC3)C(=O)C2CCN1CC2.
What is the InChIKey of 2-(methoxymethyl)-2-[[2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methoxymethyl]-1-azabicyclo[2.2.2]octan-3-one?
The InChIKey is XVJBOJSOUMCTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O5/c1-25-11-19(17(23)15-3-7-21(19)8-4-15)13-27-14-20(12-26-2)18(24)16-5-9-22(20)10-6-16/h15-16H,3-14H2,1-2H3.
What are the key properties of 2-(methoxymethyl)-2-[[2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methoxymethyl]-1-azabicyclo[2.2.2]octan-3-one?
2-(methoxymethyl)-2-[[2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methoxymethyl]-1-azabicyclo[2.2.2]octan-3-one has a molecular weight of 380.49 g/mol, XLogP of 0.36, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-2-[[2-(methoxymethyl)-3-oxo-1-azabicyclo[2.2.2]octan-2-yl]methoxymethyl]-1-azabicyclo[2.2.2]octan-3-one is sourced from PubChem (CID 165145394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).