2-(N-acetyl-2-methoxyanilino)-N-[(4-methoxyphenyl)methyl]acetamide

C19H22N2O4 — CID 113173139

IUPAC2-(N-acetyl-2-methoxyanilino)-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CN(C(C)=O)c2ccccc2OC)cc1
InChIInChI=1S/C19H22N2O4/c1-14(22)21(17-6-4-5-7-18(17)25-3)13-19(23)20-12-15-8-10-16(24-2)11-9-15/h4-11H,12-13H2,1-3H3,(H,20,23)
InChIKeyNTSUWJLJTNOXFQ-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.37
Rot. Bonds7

About 2-(N-acetyl-2-methoxyanilino)-N-[(4-methoxyphenyl)methyl]acetamide

2-(N-acetyl-2-methoxyanilino)-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 113173139) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-(N-acetyl-2-methoxyanilino)-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2-methoxyanilino)-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID113173139
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name2-(N-acetyl-2-methoxyanilino)-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CN(C(C)=O)c2ccccc2OC)cc1
InChIInChI=1S/C19H22N2O4/c1-14(22)21(17-6-4-5-7-18(17)25-3)13-19(23)20-12-15-8-10-16(24-2)11-9-15/h4-11H,12-13H2,1-3H3,(H,20,23)
InChIKeyNTSUWJLJTNOXFQ-UHFFFAOYSA-N
XLogP2.37
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-acetyl-2,5-dimethoxyanilino)-N-[(4-chlorophenyl)methyl]acetamide
CID 113174537
2-(N-acetyl-2,5-dimethoxyanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 113174544
3-(N-acetyl-2-methoxyanilino)-N-benzylpropanamide
CID 113128720
2-(N-acetyl-2-methoxyanilino)-N-(2-phenylethyl)acetamide
CID 113173145
2-(N-acetyl-2-methoxyanilino)-N-(2-methylpropyl)acetamide
CID 113173108
N'-(2-methoxyphenyl)-N'-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-pyridin-2-ylbutanediamide
CID 648577
2-(N-acetyl-4-ethylanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 113169241
3-(2-methoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]propanamide
CID 113144486
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-benzylacetamide
CID 113163044
3-(N-acetyl-2,4-dimethoxyanilino)-N-benzylpropanamide
CID 113130084
2-(N-acetyl-2-methoxy-5-methylanilino)-N-[(4-chlorophenyl)methyl]acetamide
CID 113174052
2-(N-acetyl-2,5-dimethoxyanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 113174542

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2-methoxyanilino)-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(N-acetyl-2-methoxyanilino)-N-[(4-methoxyphenyl)methyl]acetamide (CID 113173139) is 2-(N-acetyl-2-methoxyanilino)-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(N-acetyl-2-methoxyanilino)-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(N-acetyl-2-methoxyanilino)-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)CN(C(C)=O)c2ccccc2OC)cc1.
What is the InChIKey of 2-(N-acetyl-2-methoxyanilino)-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is NTSUWJLJTNOXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-14(22)21(17-6-4-5-7-18(17)25-3)13-19(23)20-12-15-8-10-16(24-2)11-9-15/h4-11H,12-13H2,1-3H3,(H,20,23).
What are the key properties of 2-(N-acetyl-2-methoxyanilino)-N-[(4-methoxyphenyl)methyl]acetamide?
2-(N-acetyl-2-methoxyanilino)-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 342.40 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2-methoxyanilino)-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 113173139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).