6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-ylmethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C17H22N2O2 — CID 173179420

IUPAC6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-ylmethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESNC(=O)C1CCCc2cc(CN3CC4CC3CO4)ccc21
InChIInChI=1S/C17H22N2O2/c18-17(20)16-3-1-2-12-6-11(4-5-15(12)16)8-19-9-14-7-13(19)10-21-14/h4-6,13-14,16H,1-3,7-10H2,(H2,18,20)
InChIKeyQQKKSDMCIDCBMG-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.56
Rot. Bonds3

About 6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-ylmethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-ylmethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 173179420) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-ylmethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound Name6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-ylmethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID173179420
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-ylmethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESNC(=O)C1CCCc2cc(CN3CC4CC3CO4)ccc21
InChIInChI=1S/C17H22N2O2/c18-17(20)16-3-1-2-12-6-11(4-5-15(12)16)8-19-9-14-7-13(19)10-21-14/h4-6,13-14,16H,1-3,7-10H2,(H2,18,20)
InChIKeyQQKKSDMCIDCBMG-UHFFFAOYSA-N
XLogP1.56
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-ylmethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of 6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-ylmethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 173179420) is 6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-ylmethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for 6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-ylmethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for 6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-ylmethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is NC(=O)C1CCCc2cc(CN3CC4CC3CO4)ccc21.
What is the InChIKey of 6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-ylmethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is QQKKSDMCIDCBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c18-17(20)16-3-1-2-12-6-11(4-5-15(12)16)8-19-9-14-7-13(19)10-21-14/h4-6,13-14,16H,1-3,7-10H2,(H2,18,20).
What are the key properties of 6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-ylmethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-ylmethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 286.37 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-ylmethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 173179420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).