N-(1-azabicyclo[2.2.2]octan-3-yl)-4-propoxybenzamide

C17H24N2O2 — CID 5136899

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)NC2CN3CCC2CC3)cc1
InChIInChI=1S/C17H24N2O2/c1-2-11-21-15-5-3-14(4-6-15)17(20)18-16-12-19-9-7-13(16)8-10-19/h3-6,13,16H,2,7-12H2,1H3,(H,18,20)
InChIKeyOLZQFVPVGAMXLI-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.30
Rot. Bonds5

About N-(1-azabicyclo[2.2.2]octan-3-yl)-4-propoxybenzamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-4-propoxybenzamide (PubChem CID 5136899) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-4-propoxybenzamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-4-propoxybenzamide
PubChem CID5136899
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)NC2CN3CCC2CC3)cc1
InChIInChI=1S/C17H24N2O2/c1-2-11-21-15-5-3-14(4-6-15)17(20)18-16-12-19-9-7-13(16)8-10-19/h3-6,13,16H,2,7-12H2,1H3,(H,18,20)
InChIKeyOLZQFVPVGAMXLI-UHFFFAOYSA-N
XLogP2.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-azabicyclo[2.2.2]octan-3-ylcarbamothioyl)-4-ethoxybenzamide
CID 4029681
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-(125I)iodo(125I)benzamide
CID 11325679
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-cyanobenzamide
CID 24707260
N-cyclohexyl-4-propoxybenzamide
CID 4938429
N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide;hydrochloride
CID 19766290
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-(3-methoxyphenoxy)benzamide
CID 10154995
4-[(6-acetamido-3-pyridinyl)oxy]-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]benzamide
CID 22897176
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(4-methoxy-2-pyridinyl)oxy]benzamide
CID 18383331
4-[4-(1-azabicyclo[2.2.2]octan-3-ylcarbamoyl)phenyl]-3-methoxybenzoic acid
CID 131929147
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-methoxy-1,3,4-thiadiazol-2-yl)oxy]benzamide
CID 18383785
4-[(5-acetyl-1H-pyrrol-2-yl)oxy]-N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide
CID 18383494
4-[(4-acetamido-2-pyridinyl)oxy]-N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide
CID 18383298

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-4-propoxybenzamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-4-propoxybenzamide (CID 5136899) is N-(1-azabicyclo[2.2.2]octan-3-yl)-4-propoxybenzamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-4-propoxybenzamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-4-propoxybenzamide is CCCOc1ccc(C(=O)NC2CN3CCC2CC3)cc1.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-4-propoxybenzamide?
The InChIKey is OLZQFVPVGAMXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-2-11-21-15-5-3-14(4-6-15)17(20)18-16-12-19-9-7-13(16)8-10-19/h3-6,13,16H,2,7-12H2,1H3,(H,18,20).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-4-propoxybenzamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-propoxybenzamide has a molecular weight of 288.39 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-4-propoxybenzamide is sourced from PubChem (CID 5136899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).