N-(3-methylphenyl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide

C19H25N2O+ — CID 8878092

IUPACN-(3-methylphenyl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide
SMILESCCC(CC)c1cc[n+](CC(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C19H24N2O/c1-4-16(5-2)17-9-11-21(12-10-17)14-19(22)20-18-8-6-7-15(3)13-18/h6-13,16H,4-5,14H2,1-3H3/p+1
InChIKeyXTLMLPTVYKJQOK-UHFFFAOYSA-O
MW297.42 g/mol
LogP3.82
Rot. Bonds6

About N-(3-methylphenyl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide

N-(3-methylphenyl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide (PubChem CID 8878092) has the molecular formula C19H25N2O+ and a molecular weight of 297.42 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide
PubChem CID8878092
Molecular FormulaC19H25N2O+
Molecular Weight297.42 g/mol
Exact Mass297.20
IUPAC NameN-(3-methylphenyl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide
SMILESCCC(CC)c1cc[n+](CC(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C19H24N2O/c1-4-16(5-2)17-9-11-21(12-10-17)14-19(22)20-18-8-6-7-15(3)13-18/h6-13,16H,4-5,14H2,1-3H3/p+1
InChIKeyXTLMLPTVYKJQOK-UHFFFAOYSA-O
XLogP3.82
TPSA32.98 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 53.82
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

N-(3-bromophenyl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide chloride
CID 43001070
N-(3-acetylphenyl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide
CID 8878078
N-(3,4-difluorophenyl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide
CID 8878109
N-(3-methylphenyl)-3-[(2-pyridin-1-ium-1-ylacetyl)amino]benzamide
CID 46906808
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide
CID 8878164
N-(3-methylphenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetamide
CID 8877099
2-[[(2S)-butan-2-yl]amino]-N-(3-methylphenyl)acetamide
CID 2386923
N-(3-bromophenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide
CID 8877610
N-(3-bromo-4-methylphenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide
CID 8827490
3-hydroxy-N-(3-methylphenyl)butanamide
CID 16769880
2-(4-pentan-3-ylpyridin-1-ium-1-yl)-N-(propylcarbamoyl)acetamide
CID 8878002
2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(3-methylphenyl)acetamide
CID 9263477

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide?
The IUPAC name of N-(3-methylphenyl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide (CID 8878092) is N-(3-methylphenyl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide.
What is the SMILES notation for N-(3-methylphenyl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide?
The canonical SMILES for N-(3-methylphenyl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide is CCC(CC)c1cc[n+](CC(=O)Nc2cccc(C)c2)cc1.
What is the InChIKey of N-(3-methylphenyl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide?
The InChIKey is XTLMLPTVYKJQOK-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H24N2O/c1-4-16(5-2)17-9-11-21(12-10-17)14-19(22)20-18-8-6-7-15(3)13-18/h6-13,16H,4-5,14H2,1-3H3/p+1.
What are the key properties of N-(3-methylphenyl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide?
N-(3-methylphenyl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide has a molecular weight of 297.42 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide is sourced from PubChem (CID 8878092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).