2-(3-acetamido-N-acetylanilino)-N-(3,4-dimethylphenyl)acetamide

C20H23N3O3 — CID 113175802

IUPAC2-(3-acetamido-N-acetylanilino)-N-(3,4-dimethylphenyl)acetamide
SMILESCC(=O)Nc1cccc(N(CC(=O)Nc2ccc(C)c(C)c2)C(C)=O)c1
InChIInChI=1S/C20H23N3O3/c1-13-8-9-18(10-14(13)2)22-20(26)12-23(16(4)25)19-7-5-6-17(11-19)21-15(3)24/h5-11H,12H2,1-4H3,(H,21,24)(H,22,26)
InChIKeyZQIYQAQEDDIOTR-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.25
Rot. Bonds5

About 2-(3-acetamido-N-acetylanilino)-N-(3,4-dimethylphenyl)acetamide

2-(3-acetamido-N-acetylanilino)-N-(3,4-dimethylphenyl)acetamide (PubChem CID 113175802) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-(3-acetamido-N-acetylanilino)-N-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-acetamido-N-acetylanilino)-N-(3,4-dimethylphenyl)acetamide
PubChem CID113175802
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name2-(3-acetamido-N-acetylanilino)-N-(3,4-dimethylphenyl)acetamide
SMILESCC(=O)Nc1cccc(N(CC(=O)Nc2ccc(C)c(C)c2)C(C)=O)c1
InChIInChI=1S/C20H23N3O3/c1-13-8-9-18(10-14(13)2)22-20(26)12-23(16(4)25)19-7-5-6-17(11-19)21-15(3)24/h5-11H,12H2,1-4H3,(H,21,24)(H,22,26)
InChIKeyZQIYQAQEDDIOTR-UHFFFAOYSA-N
XLogP3.25
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-acetamido-N-acetylanilino)-N-(4-acetamidophenyl)acetamide
CID 113175847
2-(N,3-diacetylanilino)-N-(3,4-dimethylphenyl)acetamide
CID 113175462
2-(4-acetamido-N-acetylanilino)-N-(3,4-dimethylphenyl)acetamide
CID 113175959
2-(N-acetyl-3-cyanoanilino)-N-(3,4-dimethylphenyl)acetamide
CID 113180919
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-(3-acetamido-N-acetylanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 113175826
2-(N-acetyl-3,4-dimethylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113168375
2-(N-acetyl-3,4-dimethylanilino)-N-(3-chloro-4-methylphenyl)acetamide
CID 113168356
N-(4-acetamidophenyl)-2-(N-acetyl-3-fluoroanilino)acetamide
CID 113177708
2-(N-acetyl-3,4-dimethylanilino)-N-(4-fluorophenyl)acetamide
CID 113168349
2-(N-acetylanilino)-N-(3-methylphenyl)acetamide
CID 113167157

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamido-N-acetylanilino)-N-(3,4-dimethylphenyl)acetamide?
The IUPAC name of 2-(3-acetamido-N-acetylanilino)-N-(3,4-dimethylphenyl)acetamide (CID 113175802) is 2-(3-acetamido-N-acetylanilino)-N-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(3-acetamido-N-acetylanilino)-N-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-(3-acetamido-N-acetylanilino)-N-(3,4-dimethylphenyl)acetamide is CC(=O)Nc1cccc(N(CC(=O)Nc2ccc(C)c(C)c2)C(C)=O)c1.
What is the InChIKey of 2-(3-acetamido-N-acetylanilino)-N-(3,4-dimethylphenyl)acetamide?
The InChIKey is ZQIYQAQEDDIOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-13-8-9-18(10-14(13)2)22-20(26)12-23(16(4)25)19-7-5-6-17(11-19)21-15(3)24/h5-11H,12H2,1-4H3,(H,21,24)(H,22,26).
What are the key properties of 2-(3-acetamido-N-acetylanilino)-N-(3,4-dimethylphenyl)acetamide?
2-(3-acetamido-N-acetylanilino)-N-(3,4-dimethylphenyl)acetamide has a molecular weight of 353.42 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamido-N-acetylanilino)-N-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 113175802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).