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

C22H26N2O2 — CID 52944041

IUPAC3-[[(1S,5R)-8-[(1S)-1-phenylethyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide
SMILESC[C@@H](c1ccccc1)N1[C@@H]2CC[C@H]1CC(Oc1cccc(C(N)=O)c1)C2
InChIInChI=1S/C22H26N2O2/c1-15(16-6-3-2-4-7-16)24-18-10-11-19(24)14-21(13-18)26-20-9-5-8-17(12-20)22(23)25/h2-9,12,15,18-19,21H,10-11,13-14H2,1H3,(H2,23,25)/t15-,18-,19+,21?/m0/s1
InChIKeyIDPGDKXBQTZRGW-BFUNQTEVSA-N
MW350.46 g/mol
LogP3.92
Rot. Bonds5

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

3-[[(1S,5R)-8-[(1S)-1-phenylethyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide (PubChem CID 52944041) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 3-[[(1S,5R)-8-[(1S)-1-phenylethyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide.

Molecular Properties

Compound Name3-[[(1S,5R)-8-[(1S)-1-phenylethyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide
PubChem CID52944041
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name3-[[(1S,5R)-8-[(1S)-1-phenylethyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide
SMILESC[C@@H](c1ccccc1)N1[C@@H]2CC[C@H]1CC(Oc1cccc(C(N)=O)c1)C2
InChIInChI=1S/C22H26N2O2/c1-15(16-6-3-2-4-7-16)24-18-10-11-19(24)14-21(13-18)26-20-9-5-8-17(12-20)22(23)25/h2-9,12,15,18-19,21H,10-11,13-14H2,1H3,(H2,23,25)/t15-,18-,19+,21?/m0/s1
InChIKeyIDPGDKXBQTZRGW-BFUNQTEVSA-N
XLogP3.92
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[(1S,5R)-8-[(1S)-1-phenylethyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide?
The IUPAC name of 3-[[(1S,5R)-8-[(1S)-1-phenylethyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide (CID 52944041) is 3-[[(1S,5R)-8-[(1S)-1-phenylethyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide.
What is the SMILES notation for 3-[[(1S,5R)-8-[(1S)-1-phenylethyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide?
The canonical SMILES for 3-[[(1S,5R)-8-[(1S)-1-phenylethyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide is C[C@@H](c1ccccc1)N1[C@@H]2CC[C@H]1CC(Oc1cccc(C(N)=O)c1)C2.
What is the InChIKey of 3-[[(1S,5R)-8-[(1S)-1-phenylethyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide?
The InChIKey is IDPGDKXBQTZRGW-BFUNQTEVSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-15(16-6-3-2-4-7-16)24-18-10-11-19(24)14-21(13-18)26-20-9-5-8-17(12-20)22(23)25/h2-9,12,15,18-19,21H,10-11,13-14H2,1H3,(H2,23,25)/t15-,18-,19+,21?/m0/s1.
What are the key properties of 3-[[(1S,5R)-8-[(1S)-1-phenylethyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide?
3-[[(1S,5R)-8-[(1S)-1-phenylethyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide has a molecular weight of 350.46 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1S,5R)-8-[(1S)-1-phenylethyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide is sourced from PubChem (CID 52944041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).