2-(1-azabicyclo[2.2.2]octan-3-yl)-N-[2-(4-methoxyphenyl)phenyl]acetamide

C22H26N2O2 — CID 67042246

IUPAC2-(1-azabicyclo[2.2.2]octan-3-yl)-N-[2-(4-methoxyphenyl)phenyl]acetamide
SMILESCOc1ccc(-c2ccccc2NC(=O)CC2CN3CCC2CC3)cc1
InChIInChI=1S/C22H26N2O2/c1-26-19-8-6-17(7-9-19)20-4-2-3-5-21(20)23-22(25)14-18-15-24-12-10-16(18)11-13-24/h2-9,16,18H,10-15H2,1H3,(H,23,25)
InChIKeyNLTXUNXKYNFEAF-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.03
Rot. Bonds5

About 2-(1-azabicyclo[2.2.2]octan-3-yl)-N-[2-(4-methoxyphenyl)phenyl]acetamide

2-(1-azabicyclo[2.2.2]octan-3-yl)-N-[2-(4-methoxyphenyl)phenyl]acetamide (PubChem CID 67042246) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 2-(1-azabicyclo[2.2.2]octan-3-yl)-N-[2-(4-methoxyphenyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1-azabicyclo[2.2.2]octan-3-yl)-N-[2-(4-methoxyphenyl)phenyl]acetamide
PubChem CID67042246
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name2-(1-azabicyclo[2.2.2]octan-3-yl)-N-[2-(4-methoxyphenyl)phenyl]acetamide
SMILESCOc1ccc(-c2ccccc2NC(=O)CC2CN3CCC2CC3)cc1
InChIInChI=1S/C22H26N2O2/c1-26-19-8-6-17(7-9-19)20-4-2-3-5-21(20)23-22(25)14-18-15-24-12-10-16(18)11-13-24/h2-9,16,18H,10-15H2,1H3,(H,23,25)
InChIKeyNLTXUNXKYNFEAF-UHFFFAOYSA-N
XLogP4.03
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-azabicyclo[2.2.2]octan-3-yl)-N-[4-[2-(hydroxymethyl)phenyl]phenyl]acetamide
CID 58742405
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-phenylphenyl)acetamide
CID 8587774
1-(cyclopropylmethyl)-N-[2-(4-methoxyphenyl)phenyl]piperidine-3-carboxamide
CID 56857067
N-[2-(4-methoxyphenyl)phenyl]-1-pentan-3-ylpiperidine-3-carboxamide
CID 45243690
4-cyano-N-[2-(4-methoxyphenyl)phenyl]piperidine-1-carboxamide
CID 72900546
N-(4-methoxyphenyl)-2-[2-oxo-2-(2-phenylanilino)ethyl]sulfinylacetamide
CID 1462946
2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(2-phenylphenyl)acetamide
CID 8832997
N-[2-(4-methoxyphenyl)phenyl]-1-[(E)-2-methylbut-2-enyl]piperidine-3-carboxamide
CID 45247760
cyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium
CID 8770300
N-[2-(4-methoxyphenyl)phenyl]-1-(thian-4-yl)piperidine-3-carboxamide
CID 45228808
1-[(3,5-difluorophenyl)methyl]-N-[2-(4-methoxyphenyl)phenyl]piperidine-3-carboxamide
CID 45169697
2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(2-phenylphenyl)acetamide
CID 11940894

Frequently Asked Questions

What is the IUPAC name of 2-(1-azabicyclo[2.2.2]octan-3-yl)-N-[2-(4-methoxyphenyl)phenyl]acetamide?
The IUPAC name of 2-(1-azabicyclo[2.2.2]octan-3-yl)-N-[2-(4-methoxyphenyl)phenyl]acetamide (CID 67042246) is 2-(1-azabicyclo[2.2.2]octan-3-yl)-N-[2-(4-methoxyphenyl)phenyl]acetamide.
What is the SMILES notation for 2-(1-azabicyclo[2.2.2]octan-3-yl)-N-[2-(4-methoxyphenyl)phenyl]acetamide?
The canonical SMILES for 2-(1-azabicyclo[2.2.2]octan-3-yl)-N-[2-(4-methoxyphenyl)phenyl]acetamide is COc1ccc(-c2ccccc2NC(=O)CC2CN3CCC2CC3)cc1.
What is the InChIKey of 2-(1-azabicyclo[2.2.2]octan-3-yl)-N-[2-(4-methoxyphenyl)phenyl]acetamide?
The InChIKey is NLTXUNXKYNFEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-26-19-8-6-17(7-9-19)20-4-2-3-5-21(20)23-22(25)14-18-15-24-12-10-16(18)11-13-24/h2-9,16,18H,10-15H2,1H3,(H,23,25).
What are the key properties of 2-(1-azabicyclo[2.2.2]octan-3-yl)-N-[2-(4-methoxyphenyl)phenyl]acetamide?
2-(1-azabicyclo[2.2.2]octan-3-yl)-N-[2-(4-methoxyphenyl)phenyl]acetamide has a molecular weight of 350.46 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-azabicyclo[2.2.2]octan-3-yl)-N-[2-(4-methoxyphenyl)phenyl]acetamide is sourced from PubChem (CID 67042246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).