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

C23H28N2O2 — CID 52945588

IUPAC3-[[(1R,5S)-8-(3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide
SMILESNC(=O)c1cccc(OC2C[C@H]3CC[C@@H](C2)N3CCCc2ccccc2)c1
InChIInChI=1S/C23H28N2O2/c24-23(26)18-9-4-10-21(14-18)27-22-15-19-11-12-20(16-22)25(19)13-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-10,14,19-20,22H,5,8,11-13,15-16H2,(H2,24,26)/t19-,20+,22?
InChIKeyGIEKCIRAZIHHMU-RLAPIPATSA-N
MW364.49 g/mol
LogP3.79
Rot. Bonds7

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

3-[[(1R,5S)-8-(3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide (PubChem CID 52945588) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 3-[[(1R,5S)-8-(3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide.

Molecular Properties

Compound Name3-[[(1R,5S)-8-(3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide
PubChem CID52945588
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name3-[[(1R,5S)-8-(3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide
SMILESNC(=O)c1cccc(OC2C[C@H]3CC[C@@H](C2)N3CCCc2ccccc2)c1
InChIInChI=1S/C23H28N2O2/c24-23(26)18-9-4-10-21(14-18)27-22-15-19-11-12-20(16-22)25(19)13-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-10,14,19-20,22H,5,8,11-13,15-16H2,(H2,24,26)/t19-,20+,22?
InChIKeyGIEKCIRAZIHHMU-RLAPIPATSA-N
XLogP3.79
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[(1R,5S)-8-(3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide?
The IUPAC name of 3-[[(1R,5S)-8-(3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide (CID 52945588) is 3-[[(1R,5S)-8-(3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide.
What is the SMILES notation for 3-[[(1R,5S)-8-(3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide?
The canonical SMILES for 3-[[(1R,5S)-8-(3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide is NC(=O)c1cccc(OC2C[C@H]3CC[C@@H](C2)N3CCCc2ccccc2)c1.
What is the InChIKey of 3-[[(1R,5S)-8-(3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide?
The InChIKey is GIEKCIRAZIHHMU-RLAPIPATSA-N. The full InChI is InChI=1S/C23H28N2O2/c24-23(26)18-9-4-10-21(14-18)27-22-15-19-11-12-20(16-22)25(19)13-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-10,14,19-20,22H,5,8,11-13,15-16H2,(H2,24,26)/t19-,20+,22?.
What are the key properties of 3-[[(1R,5S)-8-(3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide?
3-[[(1R,5S)-8-(3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide has a molecular weight of 364.49 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R,5S)-8-(3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide is sourced from PubChem (CID 52945588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).