N-(2,4-dimethylphenyl)-2-(4-ethylanilino)acetamide

C18H22N2O — CID 7636771

IUPACN-(2,4-dimethylphenyl)-2-(4-ethylanilino)acetamide
SMILESCCc1ccc(NCC(=O)Nc2ccc(C)cc2C)cc1
InChIInChI=1S/C18H22N2O/c1-4-15-6-8-16(9-7-15)19-12-18(21)20-17-10-5-13(2)11-14(17)3/h5-11,19H,4,12H2,1-3H3,(H,20,21)
InChIKeyALHXGWRWIXESQL-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.92
Rot. Bonds5

About N-(2,4-dimethylphenyl)-2-(4-ethylanilino)acetamide

N-(2,4-dimethylphenyl)-2-(4-ethylanilino)acetamide (PubChem CID 7636771) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-(4-ethylanilino)acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-(4-ethylanilino)acetamide
PubChem CID7636771
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-(2,4-dimethylphenyl)-2-(4-ethylanilino)acetamide
SMILESCCc1ccc(NCC(=O)Nc2ccc(C)cc2C)cc1
InChIInChI=1S/C18H22N2O/c1-4-15-6-8-16(9-7-15)19-12-18(21)20-17-10-5-13(2)11-14(17)3/h5-11,19H,4,12H2,1-3H3,(H,20,21)
InChIKeyALHXGWRWIXESQL-UHFFFAOYSA-N
XLogP3.92
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-(4-ethylanilino)acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-(4-ethylanilino)acetamide (CID 7636771) is N-(2,4-dimethylphenyl)-2-(4-ethylanilino)acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-(4-ethylanilino)acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-(4-ethylanilino)acetamide is CCc1ccc(NCC(=O)Nc2ccc(C)cc2C)cc1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-(4-ethylanilino)acetamide?
The InChIKey is ALHXGWRWIXESQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-4-15-6-8-16(9-7-15)19-12-18(21)20-17-10-5-13(2)11-14(17)3/h5-11,19H,4,12H2,1-3H3,(H,20,21).
What are the key properties of N-(2,4-dimethylphenyl)-2-(4-ethylanilino)acetamide?
N-(2,4-dimethylphenyl)-2-(4-ethylanilino)acetamide has a molecular weight of 282.39 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-(4-ethylanilino)acetamide is sourced from PubChem (CID 7636771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).