3-(2-methoxyethyl)-N-methyl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide

C11H20N2O3 — CID 131644773

IUPAC3-(2-methoxyethyl)-N-methyl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
SMILESCNC(=O)C1CC2CN(CCOC)CC1O2
InChIInChI=1S/C11H20N2O3/c1-12-11(14)9-5-8-6-13(3-4-15-2)7-10(9)16-8/h8-10H,3-7H2,1-2H3,(H,12,14)
InChIKeyVSLHOIQTBCDZCR-UHFFFAOYSA-N
MW228.29 g/mol
LogP-0.53
Rot. Bonds4

About 3-(2-methoxyethyl)-N-methyl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide

3-(2-methoxyethyl)-N-methyl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide (PubChem CID 131644773) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-N-methyl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide.

Molecular Properties

Compound Name3-(2-methoxyethyl)-N-methyl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
PubChem CID131644773
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name3-(2-methoxyethyl)-N-methyl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
SMILESCNC(=O)C1CC2CN(CCOC)CC1O2
InChIInChI=1S/C11H20N2O3/c1-12-11(14)9-5-8-6-13(3-4-15-2)7-10(9)16-8/h8-10H,3-7H2,1-2H3,(H,12,14)
InChIKeyVSLHOIQTBCDZCR-UHFFFAOYSA-N
XLogP-0.53
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-N-methyl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide?
The IUPAC name of 3-(2-methoxyethyl)-N-methyl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide (CID 131644773) is 3-(2-methoxyethyl)-N-methyl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide.
What is the SMILES notation for 3-(2-methoxyethyl)-N-methyl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide?
The canonical SMILES for 3-(2-methoxyethyl)-N-methyl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide is CNC(=O)C1CC2CN(CCOC)CC1O2.
What is the InChIKey of 3-(2-methoxyethyl)-N-methyl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide?
The InChIKey is VSLHOIQTBCDZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-12-11(14)9-5-8-6-13(3-4-15-2)7-10(9)16-8/h8-10H,3-7H2,1-2H3,(H,12,14).
What are the key properties of 3-(2-methoxyethyl)-N-methyl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide?
3-(2-methoxyethyl)-N-methyl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide has a molecular weight of 228.29 g/mol, XLogP of -0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-N-methyl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide is sourced from PubChem (CID 131644773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).