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

C22H26N2O2 — CID 58742405

IUPAC2-(1-azabicyclo[2.2.2]octan-3-yl)-N-[4-[2-(hydroxymethyl)phenyl]phenyl]acetamide
SMILESO=C(CC1CN2CCC1CC2)Nc1ccc(-c2ccccc2CO)cc1
InChIInChI=1S/C22H26N2O2/c25-15-18-3-1-2-4-21(18)17-5-7-20(8-6-17)23-22(26)13-19-14-24-11-9-16(19)10-12-24/h1-8,16,19,25H,9-15H2,(H,23,26)
InChIKeySBKRKNAQMSKAIV-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.52
Rot. Bonds5

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

2-(1-azabicyclo[2.2.2]octan-3-yl)-N-[4-[2-(hydroxymethyl)phenyl]phenyl]acetamide (PubChem CID 58742405) 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-[4-[2-(hydroxymethyl)phenyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(1-azabicyclo[2.2.2]octan-3-yl)-N-[4-[2-(hydroxymethyl)phenyl]phenyl]acetamide
PubChem CID58742405
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name2-(1-azabicyclo[2.2.2]octan-3-yl)-N-[4-[2-(hydroxymethyl)phenyl]phenyl]acetamide
SMILESO=C(CC1CN2CCC1CC2)Nc1ccc(-c2ccccc2CO)cc1
InChIInChI=1S/C22H26N2O2/c25-15-18-3-1-2-4-21(18)17-5-7-20(8-6-17)23-22(26)13-19-14-24-11-9-16(19)10-12-24/h1-8,16,19,25H,9-15H2,(H,23,26)
InChIKeySBKRKNAQMSKAIV-UHFFFAOYSA-N
XLogP3.52
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-azabicyclo[2.2.2]octan-3-yl)-N-[2-(4-methoxyphenyl)phenyl]acetamide
CID 67042246
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-7-[2-(hydroxymethyl)phenyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 67314335
2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-[7-[3-(hydroxymethyl)phenyl]-1-benzothiophen-2-yl]ethanone
CID 58485634
2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(2-phenylphenyl)acetamide
CID 11940894
N-[4-(1-azabicyclo[3.2.1]octan-4-ylamino)phenyl]propanamide
CID 105364117
2-[4-(hydroxymethyl)piperidin-1-yl]-N-(4-phenylphenyl)acetamide
CID 60510320
1-[4-[2-[2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]acetyl]-1-benzofuran-7-yl]phenyl]pyrrolidin-2-one
CID 58485568
2-cyclopropyl-N-phenylacetamide
CID 60753326
(3R)-N-[4-(4-formamidophenyl)phenyl]-1-azabicyclo[2.2.2]octane-3-carboxamide
CID 142994358
N-(4-phenylphenyl)-2-piperidin-4-ylacetamide
CID 67362104
N-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-4-[2-(hydroxymethyl)phenyl]benzamide
CID 126449025
N-[4-[5-cyclohexyl-2-oxo-3-[(2-phenylphenyl)methyl]-1,3,4-benzotriazepin-1-yl]phenyl]-2-pyrrolidin-1-ylacetamide
CID 69405167

Frequently Asked Questions

What is the IUPAC name of 2-(1-azabicyclo[2.2.2]octan-3-yl)-N-[4-[2-(hydroxymethyl)phenyl]phenyl]acetamide?
The IUPAC name of 2-(1-azabicyclo[2.2.2]octan-3-yl)-N-[4-[2-(hydroxymethyl)phenyl]phenyl]acetamide (CID 58742405) is 2-(1-azabicyclo[2.2.2]octan-3-yl)-N-[4-[2-(hydroxymethyl)phenyl]phenyl]acetamide.
What is the SMILES notation for 2-(1-azabicyclo[2.2.2]octan-3-yl)-N-[4-[2-(hydroxymethyl)phenyl]phenyl]acetamide?
The canonical SMILES for 2-(1-azabicyclo[2.2.2]octan-3-yl)-N-[4-[2-(hydroxymethyl)phenyl]phenyl]acetamide is O=C(CC1CN2CCC1CC2)Nc1ccc(-c2ccccc2CO)cc1.
What is the InChIKey of 2-(1-azabicyclo[2.2.2]octan-3-yl)-N-[4-[2-(hydroxymethyl)phenyl]phenyl]acetamide?
The InChIKey is SBKRKNAQMSKAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c25-15-18-3-1-2-4-21(18)17-5-7-20(8-6-17)23-22(26)13-19-14-24-11-9-16(19)10-12-24/h1-8,16,19,25H,9-15H2,(H,23,26).
What are the key properties of 2-(1-azabicyclo[2.2.2]octan-3-yl)-N-[4-[2-(hydroxymethyl)phenyl]phenyl]acetamide?
2-(1-azabicyclo[2.2.2]octan-3-yl)-N-[4-[2-(hydroxymethyl)phenyl]phenyl]acetamide has a molecular weight of 350.46 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 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-[4-[2-(hydroxymethyl)phenyl]phenyl]acetamide is sourced from PubChem (CID 58742405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).