2-(N-acetyl-4-ethylanilino)-N-(4-tert-butylphenyl)acetamide

C22H28N2O2 — CID 113169317

IUPAC2-(N-acetyl-4-ethylanilino)-N-(4-tert-butylphenyl)acetamide
SMILESCCc1ccc(N(CC(=O)Nc2ccc(C(C)(C)C)cc2)C(C)=O)cc1
InChIInChI=1S/C22H28N2O2/c1-6-17-7-13-20(14-8-17)24(16(2)25)15-21(26)23-19-11-9-18(10-12-19)22(3,4)5/h7-14H,6,15H2,1-5H3,(H,23,26)
InChIKeyYBMSASQGTKZUAB-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.54
Rot. Bonds5

About 2-(N-acetyl-4-ethylanilino)-N-(4-tert-butylphenyl)acetamide

2-(N-acetyl-4-ethylanilino)-N-(4-tert-butylphenyl)acetamide (PubChem CID 113169317) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-(N-acetyl-4-ethylanilino)-N-(4-tert-butylphenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-4-ethylanilino)-N-(4-tert-butylphenyl)acetamide
PubChem CID113169317
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name2-(N-acetyl-4-ethylanilino)-N-(4-tert-butylphenyl)acetamide
SMILESCCc1ccc(N(CC(=O)Nc2ccc(C(C)(C)C)cc2)C(C)=O)cc1
InChIInChI=1S/C22H28N2O2/c1-6-17-7-13-20(14-8-17)24(16(2)25)15-21(26)23-19-11-9-18(10-12-19)22(3,4)5/h7-14H,6,15H2,1-5H3,(H,23,26)
InChIKeyYBMSASQGTKZUAB-UHFFFAOYSA-N
XLogP4.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-acetyl-4-ethylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 113169312
2-(N-acetyl-4-cyanoanilino)-N-(4-tert-butylphenyl)acetamide
CID 113181129
2-(N-acetyl-4-ethylanilino)-N-(3,5-dimethylphenyl)acetamide
CID 113169304
2-(N-acetyl-3,4-difluoroanilino)-N-(4-ethylphenyl)acetamide
CID 113181652
2-(N-acetyl-4-ethylanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 113169343
2-(N-acetyl-3-fluoroanilino)-N-(4-ethylphenyl)acetamide
CID 113177666
2-(N-acetyl-4-ethylanilino)-N-(1,3-benzodioxol-5-yl)acetamide
CID 113169371
2-(N-acetyl-4-fluoroanilino)-N-(4-fluorophenyl)acetamide
CID 113171016
methyl 3-[acetyl-[2-(4-tert-butylanilino)-2-oxoethyl]amino]benzoate
CID 113176285
methyl 4-[acetyl-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]amino]benzoate
CID 113176468
1-(4-tert-butylphenyl)-3-(4-ethylphenyl)urea
CID 58441349
2-(N-acetyl-4-tert-butylanilino)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 113170654

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-4-ethylanilino)-N-(4-tert-butylphenyl)acetamide?
The IUPAC name of 2-(N-acetyl-4-ethylanilino)-N-(4-tert-butylphenyl)acetamide (CID 113169317) is 2-(N-acetyl-4-ethylanilino)-N-(4-tert-butylphenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-4-ethylanilino)-N-(4-tert-butylphenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-4-ethylanilino)-N-(4-tert-butylphenyl)acetamide is CCc1ccc(N(CC(=O)Nc2ccc(C(C)(C)C)cc2)C(C)=O)cc1.
What is the InChIKey of 2-(N-acetyl-4-ethylanilino)-N-(4-tert-butylphenyl)acetamide?
The InChIKey is YBMSASQGTKZUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-6-17-7-13-20(14-8-17)24(16(2)25)15-21(26)23-19-11-9-18(10-12-19)22(3,4)5/h7-14H,6,15H2,1-5H3,(H,23,26).
What are the key properties of 2-(N-acetyl-4-ethylanilino)-N-(4-tert-butylphenyl)acetamide?
2-(N-acetyl-4-ethylanilino)-N-(4-tert-butylphenyl)acetamide has a molecular weight of 352.48 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-4-ethylanilino)-N-(4-tert-butylphenyl)acetamide is sourced from PubChem (CID 113169317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).