2-(4-benzoylpyridin-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)acetamide

C23H23N2O2+ — CID 8859223

IUPAC2-(4-benzoylpyridin-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)C[n+]2ccc(C(=O)c3ccccc3)cc2)c(C)c1
InChIInChI=1S/C23H22N2O2/c1-16-13-17(2)22(18(3)14-16)24-21(26)15-25-11-9-20(10-12-25)23(27)19-7-5-4-6-8-19/h4-14H,15H2,1-3H3/p+1
InChIKeyBDLOPZFBXZJIMZ-UHFFFAOYSA-O
MW359.45 g/mol
LogP3.77
Rot. Bonds5

About 2-(4-benzoylpyridin-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)acetamide

2-(4-benzoylpyridin-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 8859223) has the molecular formula C23H23N2O2+ and a molecular weight of 359.45 g/mol. Its IUPAC name is 2-(4-benzoylpyridin-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-benzoylpyridin-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID8859223
Molecular FormulaC23H23N2O2+
Molecular Weight359.45 g/mol
Exact Mass359.18
IUPAC Name2-(4-benzoylpyridin-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)C[n+]2ccc(C(=O)c3ccccc3)cc2)c(C)c1
InChIInChI=1S/C23H22N2O2/c1-16-13-17(2)22(18(3)14-16)24-21(26)15-25-11-9-20(10-12-25)23(27)19-7-5-4-6-8-19/h4-14H,15H2,1-3H3/p+1
InChIKeyBDLOPZFBXZJIMZ-UHFFFAOYSA-O
XLogP3.77
TPSA50.05 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 53.77
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

4-benzoyl-N-(2,4,6-trimethylphenyl)benzamide
CID 684747
2-(3-hydroxypyridin-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 8751323
4-oxo-4-phenyl-N-(2,4,6-trimethylphenyl)butanamide
CID 78776242
N-(2,6-dimethylphenyl)-2-pyridin-1-ium-1-ylacetamide;hydrochloride
CID 126958731
2-(4-benzoylpyridin-1-ium-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 8859319
N,N'-bis(2,4,6-trimethylphenyl)propanediamide
CID 746178
2-[[2-(4-benzoylpyridin-1-ium-1-yl)acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 8858863
2-(4-phenylphenyl)-N-(2,4,6-trimethylphenyl)acetamide
CID 8760031
ethane;phenyl-(2,4,6-trimethylphenyl)methanone
CID 90795600
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-phenylacetamide
CID 9339160
(2S)-4-oxo-2-phenyl-4-(2,4,6-trimethylanilino)butanoic acid
CID 40808566
2-(N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 113153664

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylpyridin-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-(4-benzoylpyridin-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)acetamide (CID 8859223) is 2-(4-benzoylpyridin-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-(4-benzoylpyridin-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-(4-benzoylpyridin-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)C[n+]2ccc(C(=O)c3ccccc3)cc2)c(C)c1.
What is the InChIKey of 2-(4-benzoylpyridin-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is BDLOPZFBXZJIMZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H22N2O2/c1-16-13-17(2)22(18(3)14-16)24-21(26)15-25-11-9-20(10-12-25)23(27)19-7-5-4-6-8-19/h4-14H,15H2,1-3H3/p+1.
What are the key properties of 2-(4-benzoylpyridin-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)acetamide?
2-(4-benzoylpyridin-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 359.45 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylpyridin-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 8859223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).