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

C17H24N2O2 — CID 3414044

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2,3-dimethylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)NC2CN3CCC2CC3)c1C
InChIInChI=1S/C17H24N2O2/c1-12-4-3-5-16(13(12)2)21-11-17(20)18-15-10-19-8-6-14(15)7-9-19/h3-5,14-15H,6-11H2,1-2H3,(H,18,20)
InChIKeyXPHPTIIGUSUAQP-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.89
Rot. Bonds4

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

N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2,3-dimethylphenoxy)acetamide (PubChem CID 3414044) 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)-2-(2,3-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2,3-dimethylphenoxy)acetamide
PubChem CID3414044
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2,3-dimethylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)NC2CN3CCC2CC3)c1C
InChIInChI=1S/C17H24N2O2/c1-12-4-3-5-16(13(12)2)21-11-17(20)18-15-10-19-8-6-14(15)7-9-19/h3-5,14-15H,6-11H2,1-2H3,(H,18,20)
InChIKeyXPHPTIIGUSUAQP-UHFFFAOYSA-N
XLogP1.89
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.89
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-methylphenoxy)acetamide
CID 3892335
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-phenoxyacetamide
CID 5092006
2-(2,3-dimethylphenoxy)-N-(4-hydroxycyclohexyl)acetamide
CID 43389110
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2,4-dichlorophenoxy)acetamide
CID 4286317
4-[[2-(2,3-dimethylphenoxy)acetyl]amino]oxolane-3-carboxylic acid
CID 66221192
N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2-(2,3-dimethylphenoxy)acetamide
CID 108552797
N-(1-butanoylpiperidin-4-yl)-2-(2,3-dimethylphenoxy)acetamide
CID 108560809
2-(2,3-dimethylphenoxy)-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]acetamide
CID 108552814
2-(2,3-dimethylphenoxy)-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106124065
2-(2,3-dimethylphenoxy)-1-(3-hydroxypyrrolidin-1-yl)ethanone
CID 55132312
2-(2,3-dimethylphenoxy)-N-methoxyacetamide
CID 60717689
N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2-methylphenoxy)acetamide
CID 880138

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2,3-dimethylphenoxy)acetamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2,3-dimethylphenoxy)acetamide (CID 3414044) is N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2,3-dimethylphenoxy)acetamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2,3-dimethylphenoxy)acetamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2,3-dimethylphenoxy)acetamide is Cc1cccc(OCC(=O)NC2CN3CCC2CC3)c1C.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2,3-dimethylphenoxy)acetamide?
The InChIKey is XPHPTIIGUSUAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-12-4-3-5-16(13(12)2)21-11-17(20)18-15-10-19-8-6-14(15)7-9-19/h3-5,14-15H,6-11H2,1-2H3,(H,18,20).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2,3-dimethylphenoxy)acetamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2,3-dimethylphenoxy)acetamide has a molecular weight of 288.39 g/mol, XLogP of 1.89, 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-(2,3-dimethylphenoxy)acetamide is sourced from PubChem (CID 3414044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).