2-naphthalen-1-yloxy-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone

C22H27NO2 — CID 2927460

IUPAC2-naphthalen-1-yloxy-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone
SMILESCC1(C)CC2CC(C)(CN2C(=O)COc2cccc3ccccc23)C1
InChIInChI=1S/C22H27NO2/c1-21(2)11-17-12-22(3,14-21)15-23(17)20(24)13-25-19-10-6-8-16-7-4-5-9-18(16)19/h4-10,17H,11-15H2,1-3H3
InChIKeyXVEVHEMDUBNXEZ-UHFFFAOYSA-N
MW337.46 g/mol
LogP4.65
Rot. Bonds3

About 2-naphthalen-1-yloxy-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone

2-naphthalen-1-yloxy-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone (PubChem CID 2927460) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is 2-naphthalen-1-yloxy-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone.

Molecular Properties

Compound Name2-naphthalen-1-yloxy-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone
PubChem CID2927460
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Name2-naphthalen-1-yloxy-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone
SMILESCC1(C)CC2CC(C)(CN2C(=O)COc2cccc3ccccc23)C1
InChIInChI=1S/C22H27NO2/c1-21(2)11-17-12-22(3,14-21)15-23(17)20(24)13-25-19-10-6-8-16-7-4-5-9-18(16)19/h4-10,17H,11-15H2,1-3H3
InChIKeyXVEVHEMDUBNXEZ-UHFFFAOYSA-N
XLogP4.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yloxy-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone?
The IUPAC name of 2-naphthalen-1-yloxy-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone (CID 2927460) is 2-naphthalen-1-yloxy-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone.
What is the SMILES notation for 2-naphthalen-1-yloxy-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone?
The canonical SMILES for 2-naphthalen-1-yloxy-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone is CC1(C)CC2CC(C)(CN2C(=O)COc2cccc3ccccc23)C1.
What is the InChIKey of 2-naphthalen-1-yloxy-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone?
The InChIKey is XVEVHEMDUBNXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2/c1-21(2)11-17-12-22(3,14-21)15-23(17)20(24)13-25-19-10-6-8-16-7-4-5-9-18(16)19/h4-10,17H,11-15H2,1-3H3.
What are the key properties of 2-naphthalen-1-yloxy-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone?
2-naphthalen-1-yloxy-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone has a molecular weight of 337.46 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yloxy-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone is sourced from PubChem (CID 2927460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).