N-(4-ethoxyphenyl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)acetamide

C17H24N2O3 — CID 166600511

IUPACN-(4-ethoxyphenyl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)acetamide
SMILESCCOc1ccc(NC(=O)CN2C3CCC2CC(O)C3)cc1
InChIInChI=1S/C17H24N2O3/c1-2-22-16-7-3-12(4-8-16)18-17(21)11-19-13-5-6-14(19)10-15(20)9-13/h3-4,7-8,13-15,20H,2,5-6,9-11H2,1H3,(H,18,21)
InChIKeyJYAZGIHBWBVZFK-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.01
Rot. Bonds5

About N-(4-ethoxyphenyl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)acetamide

N-(4-ethoxyphenyl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)acetamide (PubChem CID 166600511) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)acetamide
PubChem CID166600511
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-(4-ethoxyphenyl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)acetamide
SMILESCCOc1ccc(NC(=O)CN2C3CCC2CC(O)C3)cc1
InChIInChI=1S/C17H24N2O3/c1-2-22-16-7-3-12(4-8-16)18-17(21)11-19-13-5-6-14(19)10-15(20)9-13/h3-4,7-8,13-15,20H,2,5-6,9-11H2,1H3,(H,18,21)
InChIKeyJYAZGIHBWBVZFK-UHFFFAOYSA-N
XLogP2.01
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(4-ethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 20970562
N-(4-ethoxyphenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 8544001
N-(4-ethoxyphenyl)-2-[3-(2-methylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]acetamide
CID 175651446
N-(4-ethoxyphenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583349
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[4-(4-ethoxyphenoxy)phenyl]acetamide
CID 8899247
2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-[4-(4-ethoxyphenoxy)phenyl]acetamide
CID 4880290
2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(4-ethoxyphenyl)acetamide
CID 3155220
2-(cyclopentylamino)-N-(4-ethoxyphenyl)acetamide
CID 47107212
2-(cyclopropylamino)-N-(4-ethoxyphenyl)acetamide;hydrochloride
CID 18778020
(1R,5S)-N-(4-ethoxyphenyl)-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 95986000
[(1R,3S,4R)-3,4-dimethylcyclohexyl] 4-(4-ethoxyanilino)-4-oxobutanoate
CID 6558451
[(1S,3R,4R)-3,4-dimethylcyclohexyl] 4-(4-ethoxyanilino)-4-oxobutanoate
CID 7310945

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)acetamide (CID 166600511) is N-(4-ethoxyphenyl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)acetamide is CCOc1ccc(NC(=O)CN2C3CCC2CC(O)C3)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)acetamide?
The InChIKey is JYAZGIHBWBVZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-2-22-16-7-3-12(4-8-16)18-17(21)11-19-13-5-6-14(19)10-15(20)9-13/h3-4,7-8,13-15,20H,2,5-6,9-11H2,1H3,(H,18,21).
What are the key properties of N-(4-ethoxyphenyl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)acetamide?
N-(4-ethoxyphenyl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)acetamide has a molecular weight of 304.39 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)acetamide is sourced from PubChem (CID 166600511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).