1-(2,4-dimethylphenyl)-2-(4-ethylanilino)ethanone

C18H21NO — CID 94278555

IUPAC1-(2,4-dimethylphenyl)-2-(4-ethylanilino)ethanone
SMILESCCc1ccc(NCC(=O)c2ccc(C)cc2C)cc1
InChIInChI=1S/C18H21NO/c1-4-15-6-8-16(9-7-15)19-12-18(20)17-10-5-13(2)11-14(17)3/h5-11,19H,4,12H2,1-3H3
InChIKeyPZFDEGCWSLTKKS-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.16
Rot. Bonds5

About 1-(2,4-dimethylphenyl)-2-(4-ethylanilino)ethanone

1-(2,4-dimethylphenyl)-2-(4-ethylanilino)ethanone (PubChem CID 94278555) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2-(4-ethylanilino)ethanone.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2-(4-ethylanilino)ethanone
PubChem CID94278555
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name1-(2,4-dimethylphenyl)-2-(4-ethylanilino)ethanone
SMILESCCc1ccc(NCC(=O)c2ccc(C)cc2C)cc1
InChIInChI=1S/C18H21NO/c1-4-15-6-8-16(9-7-15)19-12-18(20)17-10-5-13(2)11-14(17)3/h5-11,19H,4,12H2,1-3H3
InChIKeyPZFDEGCWSLTKKS-UHFFFAOYSA-N
XLogP4.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dimethylphenyl)-2-(4-methylanilino)ethanone
CID 82119914
N-(2,4-dimethylphenyl)-2-(4-ethylanilino)acetamide
CID 7636771
1-(2,5-dimethylphenyl)-2-(4-fluoroanilino)ethanone
CID 82120744
1-(4-bromophenyl)-2-(4-ethylanilino)ethanone
CID 110823643
2-(butylamino)-1-(2,4-dimethylphenyl)ethanone
CID 82101652
2-[(4-chlorophenyl)methylamino]-1-(2,4-dimethylphenyl)ethanone
CID 82101686
1-(2,4-dimethylphenyl)butane-1,3-dione
CID 19917258
1-[1-(4-ethylphenyl)ethenyl]-2,4-dimethylbenzene
CID 123269031
2,4-dimethyl-N-(4-propylphenyl)benzamide
CID 42237293
N-(4-acetylphenyl)-2-(4-ethylanilino)acetamide
CID 37465418
2-(3,4-dimethylanilino)-1-(4-methylphenyl)ethanone
CID 82119902
2-(4-ethylanilino)-N-propan-2-ylacetamide
CID 28583181

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2-(4-ethylanilino)ethanone?
The IUPAC name of 1-(2,4-dimethylphenyl)-2-(4-ethylanilino)ethanone (CID 94278555) is 1-(2,4-dimethylphenyl)-2-(4-ethylanilino)ethanone.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2-(4-ethylanilino)ethanone?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2-(4-ethylanilino)ethanone is CCc1ccc(NCC(=O)c2ccc(C)cc2C)cc1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2-(4-ethylanilino)ethanone?
The InChIKey is PZFDEGCWSLTKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-4-15-6-8-16(9-7-15)19-12-18(20)17-10-5-13(2)11-14(17)3/h5-11,19H,4,12H2,1-3H3.
What are the key properties of 1-(2,4-dimethylphenyl)-2-(4-ethylanilino)ethanone?
1-(2,4-dimethylphenyl)-2-(4-ethylanilino)ethanone has a molecular weight of 267.37 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-2-(4-ethylanilino)ethanone is sourced from PubChem (CID 94278555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).