2-(N-acetyl-3,5-dimethylanilino)-N-(4-acetylphenyl)acetamide

C20H22N2O3 — CID 113168572

IUPAC2-(N-acetyl-3,5-dimethylanilino)-N-(4-acetylphenyl)acetamide
SMILESCC(=O)c1ccc(NC(=O)CN(C(C)=O)c2cc(C)cc(C)c2)cc1
InChIInChI=1S/C20H22N2O3/c1-13-9-14(2)11-19(10-13)22(16(4)24)12-20(25)21-18-7-5-17(6-8-18)15(3)23/h5-11H,12H2,1-4H3,(H,21,25)
InChIKeyYGKWHNCRQDOVFL-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.50
Rot. Bonds5

About 2-(N-acetyl-3,5-dimethylanilino)-N-(4-acetylphenyl)acetamide

2-(N-acetyl-3,5-dimethylanilino)-N-(4-acetylphenyl)acetamide (PubChem CID 113168572) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-(N-acetyl-3,5-dimethylanilino)-N-(4-acetylphenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-3,5-dimethylanilino)-N-(4-acetylphenyl)acetamide
PubChem CID113168572
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name2-(N-acetyl-3,5-dimethylanilino)-N-(4-acetylphenyl)acetamide
SMILESCC(=O)c1ccc(NC(=O)CN(C(C)=O)c2cc(C)cc(C)c2)cc1
InChIInChI=1S/C20H22N2O3/c1-13-9-14(2)11-19(10-13)22(16(4)24)12-20(25)21-18-7-5-17(6-8-18)15(3)23/h5-11H,12H2,1-4H3,(H,21,25)
InChIKeyYGKWHNCRQDOVFL-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-3,5-dimethylanilino)-N-(4-chlorophenyl)acetamide
CID 113168546
2-(N-acetyl-3,5-dimethylanilino)-N-[4-(diethylamino)phenyl]acetamide
CID 113168581
2-(N-acetyl-3,5-dimethylanilino)-N-(3,4-dimethylphenyl)acetamide
CID 113168527
2-(N-acetyl-3,5-dimethylanilino)-N-(3-methylphenyl)acetamide
CID 113168520
2-(N-acetyl-3,5-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113168582
2-(N,4-diacetylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 113175646
2-(N-acetyl-3,4-dimethoxyanilino)-N-(4-acetylphenyl)acetamide
CID 113174936
2-(N-acetyl-3,5-dimethylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 113168537
N-(4-acetylphenyl)-2-[N-acetyl-3-(trifluoromethyl)anilino]acetamide
CID 113175214
methyl 4-[acetyl-[2-(4-methylanilino)-2-oxoethyl]amino]benzoate
CID 113176421
2-(N-acetyl-2,4,6-trimethylanilino)-N-(4-methylphenyl)acetamide
CID 113170003
2-(N-acetyl-3-methylanilino)-N-(4-bromophenyl)acetamide
CID 113167580

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3,5-dimethylanilino)-N-(4-acetylphenyl)acetamide?
The IUPAC name of 2-(N-acetyl-3,5-dimethylanilino)-N-(4-acetylphenyl)acetamide (CID 113168572) is 2-(N-acetyl-3,5-dimethylanilino)-N-(4-acetylphenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-3,5-dimethylanilino)-N-(4-acetylphenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-3,5-dimethylanilino)-N-(4-acetylphenyl)acetamide is CC(=O)c1ccc(NC(=O)CN(C(C)=O)c2cc(C)cc(C)c2)cc1.
What is the InChIKey of 2-(N-acetyl-3,5-dimethylanilino)-N-(4-acetylphenyl)acetamide?
The InChIKey is YGKWHNCRQDOVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-13-9-14(2)11-19(10-13)22(16(4)24)12-20(25)21-18-7-5-17(6-8-18)15(3)23/h5-11H,12H2,1-4H3,(H,21,25).
What are the key properties of 2-(N-acetyl-3,5-dimethylanilino)-N-(4-acetylphenyl)acetamide?
2-(N-acetyl-3,5-dimethylanilino)-N-(4-acetylphenyl)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-acetyl-3,5-dimethylanilino)-N-(4-acetylphenyl)acetamide is sourced from PubChem (CID 113168572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).