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

C22H26N2O2 — CID 52941462

IUPAC3-[[(1S,5R)-8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide
SMILESNC(=O)c1cccc(OC2C[C@H]3CC[C@@H](C2)N3CCc2ccccc2)c1
InChIInChI=1S/C22H26N2O2/c23-22(25)17-7-4-8-20(13-17)26-21-14-18-9-10-19(15-21)24(18)12-11-16-5-2-1-3-6-16/h1-8,13,18-19,21H,9-12,14-15H2,(H2,23,25)/t18-,19+,21?
InChIKeyLWMPULARVSIYHV-PMSBKCLSSA-N
MW350.46 g/mol
LogP3.40
Rot. Bonds6

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

3-[[(1S,5R)-8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide (PubChem CID 52941462) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 3-[[(1S,5R)-8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide.

Molecular Properties

Compound Name3-[[(1S,5R)-8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide
PubChem CID52941462
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name3-[[(1S,5R)-8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide
SMILESNC(=O)c1cccc(OC2C[C@H]3CC[C@@H](C2)N3CCc2ccccc2)c1
InChIInChI=1S/C22H26N2O2/c23-22(25)17-7-4-8-20(13-17)26-21-14-18-9-10-19(15-21)24(18)12-11-16-5-2-1-3-6-16/h1-8,13,18-19,21H,9-12,14-15H2,(H2,23,25)/t18-,19+,21?
InChIKeyLWMPULARVSIYHV-PMSBKCLSSA-N
XLogP3.40
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

AZ-Mtab, >=98% (hplc)
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
N,N-diethyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]benzamide
CID 53257621
Morpholino(3-phenoxyphenyl)methanone
CID 6465484
3-((1-Benzylpiperidin-4-yl)oxy)benzamide
CID 52946209
[4-[4-[3-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]propoxy]phenyl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 44275443
4-[4-[3-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]propoxy]phenyl]-N,N-diethylbenzamide
CID 44275619
N-Ethyl-4-{(3-methoxy-phenyl)-[8-(3-methyl-but-2-enyl)-8-aza-bicyclo[3.2.1]oct-3-ylidene]-methyl}-benzamide
CID 44306977
N-Ethyl-4-[(3-methoxy-phenyl)-(8-phenethyl-8-aza-bicyclo[3.2.1]oct-3-ylidene)-methyl]-benzamide
CID 44307198
3-[[(1S,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide
CID 49865733

Frequently Asked Questions

What is the IUPAC name of 3-[[(1S,5R)-8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide?
The IUPAC name of 3-[[(1S,5R)-8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide (CID 52941462) is 3-[[(1S,5R)-8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide.
What is the SMILES notation for 3-[[(1S,5R)-8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide?
The canonical SMILES for 3-[[(1S,5R)-8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide is NC(=O)c1cccc(OC2C[C@H]3CC[C@@H](C2)N3CCc2ccccc2)c1.
What is the InChIKey of 3-[[(1S,5R)-8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide?
The InChIKey is LWMPULARVSIYHV-PMSBKCLSSA-N. The full InChI is InChI=1S/C22H26N2O2/c23-22(25)17-7-4-8-20(13-17)26-21-14-18-9-10-19(15-21)24(18)12-11-16-5-2-1-3-6-16/h1-8,13,18-19,21H,9-12,14-15H2,(H2,23,25)/t18-,19+,21?.
What are the key properties of 3-[[(1S,5R)-8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide?
3-[[(1S,5R)-8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide has a molecular weight of 350.46 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1S,5R)-8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide is sourced from PubChem (CID 52941462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).