2-(N-acetyl-2,4-dimethoxyanilino)-N-(4-methylphenyl)acetamide

C19H22N2O4 — CID 113174733

IUPAC2-(N-acetyl-2,4-dimethoxyanilino)-N-(4-methylphenyl)acetamide
SMILESCOc1ccc(N(CC(=O)Nc2ccc(C)cc2)C(C)=O)c(OC)c1
InChIInChI=1S/C19H22N2O4/c1-13-5-7-15(8-6-13)20-19(23)12-21(14(2)22)17-10-9-16(24-3)11-18(17)25-4/h5-11H,12H2,1-4H3,(H,20,23)
InChIKeyCNALWWRXINGYLB-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.00
Rot. Bonds6

About 2-(N-acetyl-2,4-dimethoxyanilino)-N-(4-methylphenyl)acetamide

2-(N-acetyl-2,4-dimethoxyanilino)-N-(4-methylphenyl)acetamide (PubChem CID 113174733) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-(N-acetyl-2,4-dimethoxyanilino)-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2,4-dimethoxyanilino)-N-(4-methylphenyl)acetamide
PubChem CID113174733
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name2-(N-acetyl-2,4-dimethoxyanilino)-N-(4-methylphenyl)acetamide
SMILESCOc1ccc(N(CC(=O)Nc2ccc(C)cc2)C(C)=O)c(OC)c1
InChIInChI=1S/C19H22N2O4/c1-13-5-7-15(8-6-13)20-19(23)12-21(14(2)22)17-10-9-16(24-3)11-18(17)25-4/h5-11H,12H2,1-4H3,(H,20,23)
InChIKeyCNALWWRXINGYLB-UHFFFAOYSA-N
XLogP3.00
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-2-(N-acetyl-2,4-dimethoxyanilino)acetamide
CID 113174784
2-(N-acetyl-2-methoxy-5-methylanilino)-N-(2,5-dimethoxyphenyl)acetamide
CID 113174146
2-(N-acetyl-2,4-dimethoxyanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 113174807
2-[(2,5-dimethoxyphenyl)methyl-methylamino]-N-(4-methylphenyl)acetamide
CID 8786291
2-(N-acetyl-2-methoxy-5-methylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 113174118
2-(N-acetyl-2,4-dimethoxyanilino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 113174773
methyl 4-[[2-(2,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzoate
CID 2206047
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
CID 1099912
3-(N-acetyl-2,4-dimethoxyanilino)-N-(2,4-dimethylphenyl)propanamide
CID 113130127
2-(N-acetyl-2,5-dimethoxyanilino)-N-(2,6-dimethylphenyl)acetamide
CID 113174587
2-(N-acetyl-2,5-dimethoxyanilino)-N-(3-fluorophenyl)acetamide
CID 113174637
N-(2,4-dimethoxyphenyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113061279

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2,4-dimethoxyanilino)-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-(N-acetyl-2,4-dimethoxyanilino)-N-(4-methylphenyl)acetamide (CID 113174733) is 2-(N-acetyl-2,4-dimethoxyanilino)-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-2,4-dimethoxyanilino)-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-2,4-dimethoxyanilino)-N-(4-methylphenyl)acetamide is COc1ccc(N(CC(=O)Nc2ccc(C)cc2)C(C)=O)c(OC)c1.
What is the InChIKey of 2-(N-acetyl-2,4-dimethoxyanilino)-N-(4-methylphenyl)acetamide?
The InChIKey is CNALWWRXINGYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-13-5-7-15(8-6-13)20-19(23)12-21(14(2)22)17-10-9-16(24-3)11-18(17)25-4/h5-11H,12H2,1-4H3,(H,20,23).
What are the key properties of 2-(N-acetyl-2,4-dimethoxyanilino)-N-(4-methylphenyl)acetamide?
2-(N-acetyl-2,4-dimethoxyanilino)-N-(4-methylphenyl)acetamide has a molecular weight of 342.40 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2,4-dimethoxyanilino)-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 113174733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).