1-(2,4-dimethylphenyl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone

C16H25NO — CID 63965525

IUPAC1-(2,4-dimethylphenyl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone
SMILESCCC(C)(C)N(C)CC(=O)c1ccc(C)cc1C
InChIInChI=1S/C16H25NO/c1-7-16(4,5)17(6)11-15(18)14-9-8-12(2)10-13(14)3/h8-10H,7,11H2,1-6H3
InChIKeyGBEGEGVBZPIYIQ-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.61
Rot. Bonds5

About 1-(2,4-dimethylphenyl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone

1-(2,4-dimethylphenyl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone (PubChem CID 63965525) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone
PubChem CID63965525
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-(2,4-dimethylphenyl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone
SMILESCCC(C)(C)N(C)CC(=O)c1ccc(C)cc1C
InChIInChI=1S/C16H25NO/c1-7-16(4,5)17(6)11-15(18)14-9-8-12(2)10-13(14)3/h8-10H,7,11H2,1-6H3
InChIKeyGBEGEGVBZPIYIQ-UHFFFAOYSA-N
XLogP3.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylphenyl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone
CID 63964640
2-[butyl(methyl)amino]-1-(2,4-dimethylphenyl)ethanone
CID 43219658
2-[2-(dimethylamino)ethyl-methylamino]-1-(2,4-dimethylphenyl)ethanone
CID 63701271
1-(2,5-dichlorothiophen-3-yl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone
CID 63966848
2-[[2-(2,4-dimethylphenyl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide
CID 62031117
1-(2,4-dimethylphenyl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone
CID 112661926
1-(2,4-dimethylphenyl)-2-(N-ethylanilino)ethanone
CID 21420194
1-(2,4-dimethylphenyl)-2-[5-hydroxypentyl(methyl)amino]ethanone
CID 107201105
N-ethyl-N,2,4-trimethylbenzamide
CID 59887663
2-tert-butylsulfonyl-1-(2,4-dimethylphenyl)ethanone
CID 64642350
1-(2,4-dimethylphenyl)-3,4,4-trimethylpentan-1-one
CID 55262245
2-tert-butylsulfinyl-1-(2,4-dimethylphenyl)ethanone
CID 64639475

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone?
The IUPAC name of 1-(2,4-dimethylphenyl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone (CID 63965525) is 1-(2,4-dimethylphenyl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone is CCC(C)(C)N(C)CC(=O)c1ccc(C)cc1C.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone?
The InChIKey is GBEGEGVBZPIYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-7-16(4,5)17(6)11-15(18)14-9-8-12(2)10-13(14)3/h8-10H,7,11H2,1-6H3.
What are the key properties of 1-(2,4-dimethylphenyl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone?
1-(2,4-dimethylphenyl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone has a molecular weight of 247.38 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone is sourced from PubChem (CID 63965525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).