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

C16H22N2O2 — CID 3892335

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)NC1CN2CCC1CC2
InChIInChI=1S/C16H22N2O2/c1-12-4-2-3-5-15(12)20-11-16(19)17-14-10-18-8-6-13(14)7-9-18/h2-5,13-14H,6-11H2,1H3,(H,17,19)
InChIKeySZZUJEHFOXFHFH-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.58
Rot. Bonds4

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

N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2-methylphenoxy)acetamide (PubChem CID 3892335) 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-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2-methylphenoxy)acetamide
PubChem CID3892335
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)NC1CN2CCC1CC2
InChIInChI=1S/C16H22N2O2/c1-12-4-2-3-5-15(12)20-11-16(19)17-14-10-18-8-6-13(14)7-9-18/h2-5,13-14H,6-11H2,1H3,(H,17,19)
InChIKeySZZUJEHFOXFHFH-UHFFFAOYSA-N
XLogP1.58
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 ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2,3-dimethylphenoxy)acetamide
CID 3414044
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-phenoxyacetamide
CID 5092006
N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2-methylphenoxy)acetamide
CID 880138
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2,4-dichlorophenoxy)acetamide
CID 4286317
2-(2-methylphenoxy)-N-(1-phenylpiperidin-4-yl)acetamide
CID 110735883
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(2-methylphenoxy)acetamide
CID 110819454
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-(2-methylphenoxy)acetamide
CID 110819905
N'-[2-(2-methylphenoxy)acetyl]cyclobutanecarbohydrazide
CID 8696588
N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-(2-methylphenoxy)acetamide;formic acid
CID 163341407
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(2-methylphenyl)benzamide
CID 91404239
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methoxybenzamide;oxalic acid
CID 24834277
2-(2-methylphenoxy)-N-(4-methylpiperazin-1-yl)acetamide
CID 891918

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2-methylphenoxy)acetamide (CID 3892335) is N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2-methylphenoxy)acetamide is Cc1ccccc1OCC(=O)NC1CN2CCC1CC2.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2-methylphenoxy)acetamide?
The InChIKey is SZZUJEHFOXFHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-12-4-2-3-5-15(12)20-11-16(19)17-14-10-18-8-6-13(14)7-9-18/h2-5,13-14H,6-11H2,1H3,(H,17,19).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2-methylphenoxy)acetamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2-methylphenoxy)acetamide has a molecular weight of 274.36 g/mol, XLogP of 1.58, 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-(2-methylphenoxy)acetamide is sourced from PubChem (CID 3892335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).