2-[methyl(quinolin-1-ium-2-yl)amino]-N-(2,4,6-trimethylphenyl)acetamide

C21H24N3O+ — CID 9196073

IUPAC2-[methyl(quinolin-1-ium-2-yl)amino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN(C)c2ccc3ccccc3[nH+]2)c(C)c1
InChIInChI=1S/C21H23N3O/c1-14-11-15(2)21(16(3)12-14)23-20(25)13-24(4)19-10-9-17-7-5-6-8-18(17)22-19/h5-12H,13H2,1-4H3,(H,23,25)/p+1
InChIKeyUPKOJHQGDNCPJB-UHFFFAOYSA-O
MW334.44 g/mol
LogP3.65
Rot. Bonds4

About 2-[methyl(quinolin-1-ium-2-yl)amino]-N-(2,4,6-trimethylphenyl)acetamide

2-[methyl(quinolin-1-ium-2-yl)amino]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 9196073) has the molecular formula C21H24N3O+ and a molecular weight of 334.44 g/mol. Its IUPAC name is 2-[methyl(quinolin-1-ium-2-yl)amino]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[methyl(quinolin-1-ium-2-yl)amino]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID9196073
Molecular FormulaC21H24N3O+
Molecular Weight334.44 g/mol
Exact Mass334.19
IUPAC Name2-[methyl(quinolin-1-ium-2-yl)amino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN(C)c2ccc3ccccc3[nH+]2)c(C)c1
InChIInChI=1S/C21H23N3O/c1-14-11-15(2)21(16(3)12-14)23-20(25)13-24(4)19-10-9-17-7-5-6-8-18(17)22-19/h5-12H,13H2,1-4H3,(H,23,25)/p+1
InChIKeyUPKOJHQGDNCPJB-UHFFFAOYSA-O
XLogP3.65
TPSA46.48 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[methyl(naphthalen-2-ylmethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 9261630
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-naphthalen-2-ylpropanamide
CID 46801974
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-phenylacetamide
CID 9339160
2-(dimethylamino)-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 138400573
N-methyl-2-naphthalen-1-yl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 8752580
2-[methyl-(2-naphthalen-2-ylsulfanylacetyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 7478627
2-[cyclohexyl(methyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 4818302
2-[cycloheptyl(methyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 16577746
3-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-phenylpropanamide
CID 17498635
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-(2-methylsulfonylphenyl)acetamide
CID 8622710
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-(2,4,6-trimethylphenyl)propanamide
CID 42911688
2-[methylsulfonyl(naphthalen-1-yl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 1317383

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(quinolin-1-ium-2-yl)amino]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[methyl(quinolin-1-ium-2-yl)amino]-N-(2,4,6-trimethylphenyl)acetamide (CID 9196073) is 2-[methyl(quinolin-1-ium-2-yl)amino]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[methyl(quinolin-1-ium-2-yl)amino]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[methyl(quinolin-1-ium-2-yl)amino]-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CN(C)c2ccc3ccccc3[nH+]2)c(C)c1.
What is the InChIKey of 2-[methyl(quinolin-1-ium-2-yl)amino]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is UPKOJHQGDNCPJB-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H23N3O/c1-14-11-15(2)21(16(3)12-14)23-20(25)13-24(4)19-10-9-17-7-5-6-8-18(17)22-19/h5-12H,13H2,1-4H3,(H,23,25)/p+1.
What are the key properties of 2-[methyl(quinolin-1-ium-2-yl)amino]-N-(2,4,6-trimethylphenyl)acetamide?
2-[methyl(quinolin-1-ium-2-yl)amino]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 334.44 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(quinolin-1-ium-2-yl)amino]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 9196073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).