3-[[(1R,5S)-8-[1-(2-methylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide

C23H28N2O2 — CID 52947593

IUPAC3-[[(1R,5S)-8-[1-(2-methylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide
SMILESCc1ccccc1C(C)N1[C@@H]2CC[C@H]1CC(Oc1cccc(C(N)=O)c1)C2
InChIInChI=1S/C23H28N2O2/c1-15-6-3-4-9-22(15)16(2)25-18-10-11-19(25)14-21(13-18)27-20-8-5-7-17(12-20)23(24)26/h3-9,12,16,18-19,21H,10-11,13-14H2,1-2H3,(H2,24,26)/t16?,18-,19+,21?
InChIKeyIQTXUDCVFFYTOM-YWZGKXPZSA-N
MW364.49 g/mol
LogP4.23
Rot. Bonds5

About 3-[[(1R,5S)-8-[1-(2-methylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide

3-[[(1R,5S)-8-[1-(2-methylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide (PubChem CID 52947593) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 3-[[(1R,5S)-8-[1-(2-methylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide.

Molecular Properties

Compound Name3-[[(1R,5S)-8-[1-(2-methylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide
PubChem CID52947593
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name3-[[(1R,5S)-8-[1-(2-methylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide
SMILESCc1ccccc1C(C)N1[C@@H]2CC[C@H]1CC(Oc1cccc(C(N)=O)c1)C2
InChIInChI=1S/C23H28N2O2/c1-15-6-3-4-9-22(15)16(2)25-18-10-11-19(25)14-21(13-18)27-20-8-5-7-17(12-20)23(24)26/h3-9,12,16,18-19,21H,10-11,13-14H2,1-2H3,(H2,24,26)/t16?,18-,19+,21?
InChIKeyIQTXUDCVFFYTOM-YWZGKXPZSA-N
XLogP4.23
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[[(1R,5S)-8-[1-(2-methylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide with MolForge

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Related Compounds

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A-349821 free base
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CID 53257621
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Frequently Asked Questions

What is the IUPAC name of 3-[[(1R,5S)-8-[1-(2-methylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide?
The IUPAC name of 3-[[(1R,5S)-8-[1-(2-methylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide (CID 52947593) is 3-[[(1R,5S)-8-[1-(2-methylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide.
What is the SMILES notation for 3-[[(1R,5S)-8-[1-(2-methylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide?
The canonical SMILES for 3-[[(1R,5S)-8-[1-(2-methylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide is Cc1ccccc1C(C)N1[C@@H]2CC[C@H]1CC(Oc1cccc(C(N)=O)c1)C2.
What is the InChIKey of 3-[[(1R,5S)-8-[1-(2-methylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide?
The InChIKey is IQTXUDCVFFYTOM-YWZGKXPZSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-15-6-3-4-9-22(15)16(2)25-18-10-11-19(25)14-21(13-18)27-20-8-5-7-17(12-20)23(24)26/h3-9,12,16,18-19,21H,10-11,13-14H2,1-2H3,(H2,24,26)/t16?,18-,19+,21?.
What are the key properties of 3-[[(1R,5S)-8-[1-(2-methylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide?
3-[[(1R,5S)-8-[1-(2-methylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide has a molecular weight of 364.49 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R,5S)-8-[1-(2-methylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide is sourced from PubChem (CID 52947593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).