N-(1-azabicyclo[2.2.2]octan-3-yl)-2-ethoxybenzamide

C16H22N2O2 — CID 68666556

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NC1CN2CCC1CC2
InChIInChI=1S/C16H22N2O2/c1-2-20-15-6-4-3-5-13(15)16(19)17-14-11-18-9-7-12(14)8-10-18/h3-6,12,14H,2,7-11H2,1H3,(H,17,19)
InChIKeyZNCCWRXTQVURKA-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.91
Rot. Bonds4

About N-(1-azabicyclo[2.2.2]octan-3-yl)-2-ethoxybenzamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-2-ethoxybenzamide (PubChem CID 68666556) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-2-ethoxybenzamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-2-ethoxybenzamide
PubChem CID68666556
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NC1CN2CCC1CC2
InChIInChI=1S/C16H22N2O2/c1-2-20-15-6-4-3-5-13(15)16(19)17-14-11-18-9-7-12(14)8-10-18/h3-6,12,14H,2,7-11H2,1H3,(H,17,19)
InChIKeyZNCCWRXTQVURKA-UHFFFAOYSA-N
XLogP1.91
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2-propoxybenzamide;2,2,2-trifluoroacetic acid
CID 45381613
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methoxybenzamide;oxalic acid
CID 24834277
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-hydroxybenzamide
CID 15020109
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-hydrazinylbenzamide
CID 55052611
2-[(2-ethoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 64814568
2-[(5-acetyl-1,3,4-thiadiazol-2-yl)oxy]-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]benzamide
CID 70162214
2-ethoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]benzamide
CID 43594205
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-benzyl-3-ethylbenzamide
CID 134869175
2-ethoxy-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389363
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2-methylphenoxy)acetamide
CID 3892335
2-ethoxy-N-[(3S,4R)-3-hydroxyoxan-4-yl]benzamide
CID 91765639
N-(1-azabicyclo[2.2.2]octan-3-ylcarbamothioyl)-4-ethoxybenzamide
CID 4029681

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-ethoxybenzamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-ethoxybenzamide (CID 68666556) is N-(1-azabicyclo[2.2.2]octan-3-yl)-2-ethoxybenzamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-2-ethoxybenzamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-2-ethoxybenzamide is CCOc1ccccc1C(=O)NC1CN2CCC1CC2.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-ethoxybenzamide?
The InChIKey is ZNCCWRXTQVURKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-2-20-15-6-4-3-5-13(15)16(19)17-14-11-18-9-7-12(14)8-10-18/h3-6,12,14H,2,7-11H2,1H3,(H,17,19).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-ethoxybenzamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-ethoxybenzamide has a molecular weight of 274.36 g/mol, XLogP of 1.91, 4 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)-2-ethoxybenzamide is sourced from PubChem (CID 68666556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).