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

C22H26N2O2 — CID 52945138

IUPAC3-[[(1S,5R)-8-(1-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide
SMILESCC(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?
InChIKeyIDPGDKXBQTZRGW-QHNXTGORSA-N
MW350.46 g/mol
LogP3.92
Rot. Bonds5

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

3-[[(1S,5R)-8-(1-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide (PubChem CID 52945138) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 3-[[(1S,5R)-8-(1-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide.

Molecular Properties

Compound Name3-[[(1S,5R)-8-(1-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide
PubChem CID52945138
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name3-[[(1S,5R)-8-(1-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide
SMILESCC(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?
InChIKeyIDPGDKXBQTZRGW-QHNXTGORSA-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

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

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Related Compounds

Snc 80
CID 123924
1-((3-Benzyl-3-methyl-2,3-dihydro-1-benzofuran-6-yl)carbonyl)piperidine
CID 24766011
3-(((3-endo)-8-((5-Methylthiophen-2-yl)methyl)-8-azabicyclo[3.2.1]octan-3-yl)oxy)benzamide
CID 49765077
A-349821 free base
CID 9954017
(4-(3-(Dimethylamino)-1-phenoxypropyl)phenyl)(4-isopropylpiperazin-1-yl)methanone
CID 24948319
[4-[4-[3-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]propoxy]phenyl]phenyl]-morpholin-4-ylmethanone
CID 44275807
2-(4-benzoylpiperazin-1-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone
CID 49855513
N,N-diethyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide
CID 53257621
3-methoxy-N-(4-phenylbutan-2-yl)benzamide
CID 2914414
4-Morpholinyl(3-phenoxyphenyl)methanone
CID 6465484
3-((1-Benzylpiperidin-4-yl)oxy)benzamide
CID 52946209
N,N-Diethyl-4-{[8-(2-phenoxy-ethyl)-8-aza-bicyclo[3.2.1]oct-3-ylidene]-phenyl-methyl}-benzamide
CID 10228465

Frequently Asked Questions

What is the IUPAC name of 3-[[(1S,5R)-8-(1-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide?
The IUPAC name of 3-[[(1S,5R)-8-(1-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide (CID 52945138) is 3-[[(1S,5R)-8-(1-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide.
What is the SMILES notation for 3-[[(1S,5R)-8-(1-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide?
The canonical SMILES for 3-[[(1S,5R)-8-(1-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide is CC(c1ccccc1)N1[C@@H]2CC[C@H]1CC(Oc1cccc(C(N)=O)c1)C2.
What is the InChIKey of 3-[[(1S,5R)-8-(1-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide?
The InChIKey is IDPGDKXBQTZRGW-QHNXTGORSA-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?.
What are the key properties of 3-[[(1S,5R)-8-(1-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide?
3-[[(1S,5R)-8-(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-(1-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide is sourced from PubChem (CID 52945138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).