2-(4-ethylpyridin-1-ium-1-yl)-N-(2-phenoxyphenyl)acetamide

C21H21N2O2+ — CID 8857732

IUPAC2-(4-ethylpyridin-1-ium-1-yl)-N-(2-phenoxyphenyl)acetamide
SMILESCCc1cc[n+](CC(=O)Nc2ccccc2Oc2ccccc2)cc1
InChIInChI=1S/C21H20N2O2/c1-2-17-12-14-23(15-13-17)16-21(24)22-19-10-6-7-11-20(19)25-18-8-4-3-5-9-18/h3-15H,2,16H2,1H3/p+1
InChIKeyVHCFEECIZPOMRU-UHFFFAOYSA-O
MW333.41 g/mol
LogP3.97
Rot. Bonds6

About 2-(4-ethylpyridin-1-ium-1-yl)-N-(2-phenoxyphenyl)acetamide

2-(4-ethylpyridin-1-ium-1-yl)-N-(2-phenoxyphenyl)acetamide (PubChem CID 8857732) has the molecular formula C21H21N2O2+ and a molecular weight of 333.41 g/mol. Its IUPAC name is 2-(4-ethylpyridin-1-ium-1-yl)-N-(2-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-ethylpyridin-1-ium-1-yl)-N-(2-phenoxyphenyl)acetamide
PubChem CID8857732
Molecular FormulaC21H21N2O2+
Molecular Weight333.41 g/mol
Exact Mass333.16
IUPAC Name2-(4-ethylpyridin-1-ium-1-yl)-N-(2-phenoxyphenyl)acetamide
SMILESCCc1cc[n+](CC(=O)Nc2ccccc2Oc2ccccc2)cc1
InChIInChI=1S/C21H20N2O2/c1-2-17-12-14-23(15-13-17)16-21(24)22-19-10-6-7-11-20(19)25-18-8-4-3-5-9-18/h3-15H,2,16H2,1H3/p+1
InChIKeyVHCFEECIZPOMRU-UHFFFAOYSA-O
XLogP3.97
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-isoquinolin-2-ium-2-yl-N-(2-phenoxyphenyl)acetamide
CID 8829232
2-(4-ethylanilino)-N-(2-phenoxyphenyl)acetamide
CID 109007685
3-(4-ethylphenoxy)-N-(2-phenoxyphenyl)propanamide
CID 108795900
N-(2-phenoxyphenyl)-2-phenylacetamide
CID 1121260
2-(4-ethylpyridin-1-ium-1-yl)-N-(2-methylsulfanylphenyl)acetamide
CID 8857954
N-(2-phenoxyphenyl)decanamide
CID 4091110
N-(2-methoxyphenyl)-2-(2-phenoxyanilino)acetamide
CID 7922855
2-(3,4-dihydroxyphenyl)-N-(2-phenoxyphenyl)acetamide
CID 113199162
2-(pentylamino)-N-(2-phenoxyphenyl)acetamide
CID 109006006
3-[benzyl(ethyl)amino]-N-(2-phenoxyphenyl)propanamide
CID 109023136
(4-fluorophenyl)methyl-methyl-[2-oxo-2-(2-phenoxyanilino)ethyl]azanium
CID 9251939
N-(2-phenoxyphenyl)-3-(propan-2-ylamino)propanamide
CID 109011722

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpyridin-1-ium-1-yl)-N-(2-phenoxyphenyl)acetamide?
The IUPAC name of 2-(4-ethylpyridin-1-ium-1-yl)-N-(2-phenoxyphenyl)acetamide (CID 8857732) is 2-(4-ethylpyridin-1-ium-1-yl)-N-(2-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-ethylpyridin-1-ium-1-yl)-N-(2-phenoxyphenyl)acetamide?
The canonical SMILES for 2-(4-ethylpyridin-1-ium-1-yl)-N-(2-phenoxyphenyl)acetamide is CCc1cc[n+](CC(=O)Nc2ccccc2Oc2ccccc2)cc1.
What is the InChIKey of 2-(4-ethylpyridin-1-ium-1-yl)-N-(2-phenoxyphenyl)acetamide?
The InChIKey is VHCFEECIZPOMRU-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H20N2O2/c1-2-17-12-14-23(15-13-17)16-21(24)22-19-10-6-7-11-20(19)25-18-8-4-3-5-9-18/h3-15H,2,16H2,1H3/p+1.
What are the key properties of 2-(4-ethylpyridin-1-ium-1-yl)-N-(2-phenoxyphenyl)acetamide?
2-(4-ethylpyridin-1-ium-1-yl)-N-(2-phenoxyphenyl)acetamide has a molecular weight of 333.41 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpyridin-1-ium-1-yl)-N-(2-phenoxyphenyl)acetamide is sourced from PubChem (CID 8857732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).