2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide

C18H23N2O2+ — CID 8862608

IUPAC2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCCc1ccc(C)[n+](CC(=O)NCc2ccccc2OC)c1
InChIInChI=1S/C18H22N2O2/c1-4-15-10-9-14(2)20(12-15)13-18(21)19-11-16-7-5-6-8-17(16)22-3/h5-10,12H,4,11,13H2,1-3H3/p+1
InChIKeyWTVMPIOEYRNOLB-UHFFFAOYSA-O
MW299.39 g/mol
LogP2.17
Rot. Bonds6

About 2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide

2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 8862608) has the molecular formula C18H23N2O2+ and a molecular weight of 299.39 g/mol. Its IUPAC name is 2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
PubChem CID8862608
Molecular FormulaC18H23N2O2+
Molecular Weight299.39 g/mol
Exact Mass299.18
IUPAC Name2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCCc1ccc(C)[n+](CC(=O)NCc2ccccc2OC)c1
InChIInChI=1S/C18H22N2O2/c1-4-15-10-9-14(2)20(12-15)13-18(21)19-11-16-7-5-6-8-17(16)22-3/h5-10,12H,4,11,13H2,1-3H3/p+1
InChIKeyWTVMPIOEYRNOLB-UHFFFAOYSA-O
XLogP2.17
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 52.17
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-(2-ethylphenoxy)-N-[(2-methoxyphenyl)methyl]acetamide
CID 2709267
N'-[(2-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]propanediamide
CID 108945706
2-(N-acetyl-4-ethylanilino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 113169240
2-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 808183
N-[(2-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2713308
ethyl N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]carbamate
CID 112992730
N-[(2-methoxyphenyl)methyl]-2-(4-methylsulfanylphenyl)acetamide
CID 110771215
N'-[1-(4-ethylphenyl)ethyl]-N-[(2-methoxyphenyl)methyl]oxamide
CID 108511080
1-[2-(4-ethylphenoxy)ethyl]-3-[(2-methoxyphenyl)methyl]urea
CID 112972032
N-[(2-methoxyphenyl)methyl]-2-(2,4,5-trimethylphenoxy)acetamide
CID 112978023
2-(3-chloro-4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 110767041
N-[(2-methoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51272108

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide (CID 8862608) is 2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide is CCc1ccc(C)[n+](CC(=O)NCc2ccccc2OC)c1.
What is the InChIKey of 2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide?
The InChIKey is WTVMPIOEYRNOLB-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H22N2O2/c1-4-15-10-9-14(2)20(12-15)13-18(21)19-11-16-7-5-6-8-17(16)22-3/h5-10,12H,4,11,13H2,1-3H3/p+1.
What are the key properties of 2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide?
2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide has a molecular weight of 299.39 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 8862608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).