N-(2,3-dimethylphenyl)-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)acetamide

C18H23N2O+ — CID 8862566

IUPACN-(2,3-dimethylphenyl)-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)acetamide
SMILESCCc1ccc(C)[n+](CC(=O)Nc2cccc(C)c2C)c1
InChIInChI=1S/C18H22N2O/c1-5-16-10-9-14(3)20(11-16)12-18(21)19-17-8-6-7-13(2)15(17)4/h6-11H,5,12H2,1-4H3/p+1
InChIKeyWBNMKEUJDKHUSF-UHFFFAOYSA-O
MW283.39 g/mol
LogP3.10
Rot. Bonds4

About N-(2,3-dimethylphenyl)-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)acetamide

N-(2,3-dimethylphenyl)-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)acetamide (PubChem CID 8862566) has the molecular formula C18H23N2O+ and a molecular weight of 283.39 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)acetamide
PubChem CID8862566
Molecular FormulaC18H23N2O+
Molecular Weight283.39 g/mol
Exact Mass283.18
IUPAC NameN-(2,3-dimethylphenyl)-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)acetamide
SMILESCCc1ccc(C)[n+](CC(=O)Nc2cccc(C)c2C)c1
InChIInChI=1S/C18H22N2O/c1-5-16-10-9-14(3)20(11-16)12-18(21)19-17-8-6-7-13(2)15(17)4/h6-11H,5,12H2,1-4H3/p+1
InChIKeyWBNMKEUJDKHUSF-UHFFFAOYSA-O
XLogP3.10
TPSA32.98 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-(2-nitrophenyl)acetamide
CID 8860902
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(4-ethylphenyl)acetamide
CID 9435166
N-(2,3-dimethylphenyl)-2-hydroxyacetamide
CID 16769655
N-(2,3-dimethylphenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 110771325
2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-(4-ethylphenyl)benzamide
CID 9106065
N-(2,3-dimethylphenyl)-2-(3,4-dimethylphenyl)acetamide
CID 2599603
N-(2,3-dimethylphenyl)-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide
CID 27859906
N-(2,3-dimethylphenyl)-2-(5-ethylindol-1-yl)acetamide
CID 110831113
N-(2,3-dimethylphenyl)-5-ethyl-2-hydroxybenzamide
CID 13325046
methyl 3-(2,3-dimethylanilino)-3-oxopropanoate
CID 14278404
N-(2,3-dimethylphenyl)-4-oxopentanamide
CID 60636238

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)acetamide (CID 8862566) is N-(2,3-dimethylphenyl)-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)acetamide is CCc1ccc(C)[n+](CC(=O)Nc2cccc(C)c2C)c1.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)acetamide?
The InChIKey is WBNMKEUJDKHUSF-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H22N2O/c1-5-16-10-9-14(3)20(11-16)12-18(21)19-17-8-6-7-13(2)15(17)4/h6-11H,5,12H2,1-4H3/p+1.
What are the key properties of N-(2,3-dimethylphenyl)-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)acetamide?
N-(2,3-dimethylphenyl)-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)acetamide has a molecular weight of 283.39 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)acetamide is sourced from PubChem (CID 8862566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).