2-(3-methylphenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide

C15H17N2O+ — CID 21157108

IUPAC2-(3-methylphenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide
SMILESCc1cc[n+](C(C(N)=O)c2cccc(C)c2)cc1
InChIInChI=1S/C15H16N2O/c1-11-6-8-17(9-7-11)14(15(16)18)13-5-3-4-12(2)10-13/h3-10,14H,1-2H3,(H-,16,18)/p+1
InChIKeyOYKZCEJPWUDHCM-UHFFFAOYSA-O
MW241.31 g/mol
LogP1.67
Rot. Bonds3

About 2-(3-methylphenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide

2-(3-methylphenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide (PubChem CID 21157108) has the molecular formula C15H17N2O+ and a molecular weight of 241.31 g/mol. Its IUPAC name is 2-(3-methylphenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide.

Molecular Properties

Compound Name2-(3-methylphenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide
PubChem CID21157108
Molecular FormulaC15H17N2O+
Molecular Weight241.31 g/mol
Exact Mass241.13
IUPAC Name2-(3-methylphenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide
SMILESCc1cc[n+](C(C(N)=O)c2cccc(C)c2)cc1
InChIInChI=1S/C15H16N2O/c1-11-6-8-17(9-7-11)14(15(16)18)13-5-3-4-12(2)10-13/h3-10,14H,1-2H3,(H-,16,18)/p+1
InChIKeyOYKZCEJPWUDHCM-UHFFFAOYSA-O
XLogP1.67
TPSA46.97 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.67
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

dimethyl 2-(3-methylphenyl)propanedioate;ethane
CID 170957140
4-(3-methylphenyl)hepta-2,5-dienediamide
CID 54086053
2-amino-2-(3-methylphenyl)acetic acid;hydrochloride
CID 24730259
1,1-bis(3-methylphenyl)propan-2-one;ethane
CID 145153760
1-methyl-3-[1,2,2-tris(3-methylphenyl)ethyl]benzene
CID 117071538
methyl 2-[1-(3-methylphenyl)ethylamino]propanoate
CID 60781961
methyl 2-[[(1R)-1-(3-methylphenyl)ethyl]amino]propanoate
CID 81363693
(2S)-2-(3-methylphenyl)propanoate
CID 86312552
2-aminooxy-2-(3-methylphenyl)acetic acid
CID 105439252
ethyl (2S)-2-(3-methylphenyl)propanoate
CID 14891800
methyl 2-amino-2-(3-methylphenyl)acetate;hydrochloride
CID 50944342
ethyl (2R)-2-amino-2-(3-methylphenyl)acetate
CID 93311210

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide?
The IUPAC name of 2-(3-methylphenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide (CID 21157108) is 2-(3-methylphenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide.
What is the SMILES notation for 2-(3-methylphenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide?
The canonical SMILES for 2-(3-methylphenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide is Cc1cc[n+](C(C(N)=O)c2cccc(C)c2)cc1.
What is the InChIKey of 2-(3-methylphenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide?
The InChIKey is OYKZCEJPWUDHCM-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H16N2O/c1-11-6-8-17(9-7-11)14(15(16)18)13-5-3-4-12(2)10-13/h3-10,14H,1-2H3,(H-,16,18)/p+1.
What are the key properties of 2-(3-methylphenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide?
2-(3-methylphenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide has a molecular weight of 241.31 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide is sourced from PubChem (CID 21157108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).