2-(N,3-diacetylanilino)-N-(3,4-dimethylphenyl)acetamide

C20H22N2O3 — CID 113175462

IUPAC2-(N,3-diacetylanilino)-N-(3,4-dimethylphenyl)acetamide
SMILESCC(=O)c1cccc(N(CC(=O)Nc2ccc(C)c(C)c2)C(C)=O)c1
InChIInChI=1S/C20H22N2O3/c1-13-8-9-18(10-14(13)2)21-20(25)12-22(16(4)24)19-7-5-6-17(11-19)15(3)23/h5-11H,12H2,1-4H3,(H,21,25)
InChIKeyMZSSSMXXVCEEPF-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.50
Rot. Bonds5

About 2-(N,3-diacetylanilino)-N-(3,4-dimethylphenyl)acetamide

2-(N,3-diacetylanilino)-N-(3,4-dimethylphenyl)acetamide (PubChem CID 113175462) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-(N,3-diacetylanilino)-N-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(N,3-diacetylanilino)-N-(3,4-dimethylphenyl)acetamide
PubChem CID113175462
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name2-(N,3-diacetylanilino)-N-(3,4-dimethylphenyl)acetamide
SMILESCC(=O)c1cccc(N(CC(=O)Nc2ccc(C)c(C)c2)C(C)=O)c1
InChIInChI=1S/C20H22N2O3/c1-13-8-9-18(10-14(13)2)21-20(25)12-22(16(4)24)19-7-5-6-17(11-19)15(3)23/h5-11H,12H2,1-4H3,(H,21,25)
InChIKeyMZSSSMXXVCEEPF-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-(3-acetamido-N-acetylanilino)-N-(3,4-dimethylphenyl)acetamide
CID 113175802
2-(N,3-diacetylanilino)-N-phenylacetamide
CID 113175453
2-(N-acetyl-3-cyanoanilino)-N-(3,4-dimethylphenyl)acetamide
CID 113180919
2-(N,3-diacetylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 113175504
2-(4-acetamido-N-acetylanilino)-N-(3,4-dimethylphenyl)acetamide
CID 113175959
2-(N-acetyl-2,6-dimethylanilino)-N-(3,4-dimethylphenyl)acetamide
CID 113168721
2-(N-acetyl-3,5-dimethylanilino)-N-(3,4-dimethylphenyl)acetamide
CID 113168527
2-(N-acetyl-3-bromoanilino)-N-(3-acetylphenyl)acetamide
CID 113177964
2-(3-acetamido-N-acetylanilino)-N-(4-acetamidophenyl)acetamide
CID 113175847
2-(N-acetyl-3,4-dimethylanilino)-N-(3-chloro-4-methylphenyl)acetamide
CID 113168356
2-(N,3-diacetylanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113175474
2-(N-acetyl-3,4-dimethylanilino)-N-(4-fluorophenyl)acetamide
CID 113168349

Frequently Asked Questions

What is the IUPAC name of 2-(N,3-diacetylanilino)-N-(3,4-dimethylphenyl)acetamide?
The IUPAC name of 2-(N,3-diacetylanilino)-N-(3,4-dimethylphenyl)acetamide (CID 113175462) is 2-(N,3-diacetylanilino)-N-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(N,3-diacetylanilino)-N-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-(N,3-diacetylanilino)-N-(3,4-dimethylphenyl)acetamide is CC(=O)c1cccc(N(CC(=O)Nc2ccc(C)c(C)c2)C(C)=O)c1.
What is the InChIKey of 2-(N,3-diacetylanilino)-N-(3,4-dimethylphenyl)acetamide?
The InChIKey is MZSSSMXXVCEEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-13-8-9-18(10-14(13)2)21-20(25)12-22(16(4)24)19-7-5-6-17(11-19)15(3)23/h5-11H,12H2,1-4H3,(H,21,25).
What are the key properties of 2-(N,3-diacetylanilino)-N-(3,4-dimethylphenyl)acetamide?
2-(N,3-diacetylanilino)-N-(3,4-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,3-diacetylanilino)-N-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 113175462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).