2-(N,4-diacetylanilino)-N-(2,5-dimethylphenyl)acetamide

C20H22N2O3 — CID 113175635

IUPAC2-(N,4-diacetylanilino)-N-(2,5-dimethylphenyl)acetamide
SMILESCC(=O)c1ccc(N(CC(=O)Nc2cc(C)ccc2C)C(C)=O)cc1
InChIInChI=1S/C20H22N2O3/c1-13-5-6-14(2)19(11-13)21-20(25)12-22(16(4)24)18-9-7-17(8-10-18)15(3)23/h5-11H,12H2,1-4H3,(H,21,25)
InChIKeyGCTPJXJSFSLSOG-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.50
Rot. Bonds5

About 2-(N,4-diacetylanilino)-N-(2,5-dimethylphenyl)acetamide

2-(N,4-diacetylanilino)-N-(2,5-dimethylphenyl)acetamide (PubChem CID 113175635) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-(N,4-diacetylanilino)-N-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(N,4-diacetylanilino)-N-(2,5-dimethylphenyl)acetamide
PubChem CID113175635
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name2-(N,4-diacetylanilino)-N-(2,5-dimethylphenyl)acetamide
SMILESCC(=O)c1ccc(N(CC(=O)Nc2cc(C)ccc2C)C(C)=O)cc1
InChIInChI=1S/C20H22N2O3/c1-13-5-6-14(2)19(11-13)21-20(25)12-22(16(4)24)18-9-7-17(8-10-18)15(3)23/h5-11H,12H2,1-4H3,(H,21,25)
InChIKeyGCTPJXJSFSLSOG-UHFFFAOYSA-N
XLogP3.50
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-acetyl-4-ethoxyanilino)-N-(2,5-dimethylphenyl)acetamide
CID 113173935
2-(N,4-diacetylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 113175646
2-(N-acetyl-2,4-dimethylanilino)-N-(2,5-dimethylphenyl)acetamide
CID 113167944
2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(2,5-dimethylphenyl)acetamide
CID 113178466
2-(N-acetyl-4-chloroanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 113171587
methyl 4-[acetyl-[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]benzoate
CID 113176448
methyl 4-[acetyl-[3-(2,5-dimethylanilino)-3-oxopropyl]amino]benzoate
CID 113131529
2-(N-acetyl-2,3-dimethylanilino)-N-(2,5-dimethylphenyl)acetamide
CID 113168914
3-(N-acetyl-4-chloroanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113127429
3-(4-acetamido-N-acetylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113131139
2-(N-acetyl-3,5-dimethylanilino)-N-(4-acetylphenyl)acetamide
CID 113168572
3-(N-acetylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113123430

Frequently Asked Questions

What is the IUPAC name of 2-(N,4-diacetylanilino)-N-(2,5-dimethylphenyl)acetamide?
The IUPAC name of 2-(N,4-diacetylanilino)-N-(2,5-dimethylphenyl)acetamide (CID 113175635) is 2-(N,4-diacetylanilino)-N-(2,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(N,4-diacetylanilino)-N-(2,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-(N,4-diacetylanilino)-N-(2,5-dimethylphenyl)acetamide is CC(=O)c1ccc(N(CC(=O)Nc2cc(C)ccc2C)C(C)=O)cc1.
What is the InChIKey of 2-(N,4-diacetylanilino)-N-(2,5-dimethylphenyl)acetamide?
The InChIKey is GCTPJXJSFSLSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-13-5-6-14(2)19(11-13)21-20(25)12-22(16(4)24)18-9-7-17(8-10-18)15(3)23/h5-11H,12H2,1-4H3,(H,21,25).
What are the key properties of 2-(N,4-diacetylanilino)-N-(2,5-dimethylphenyl)acetamide?
2-(N,4-diacetylanilino)-N-(2,5-dimethylphenyl)acetamide has a molecular weight of 338.41 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N,4-diacetylanilino)-N-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 113175635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).