N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide

C19H22N2O5 — CID 112999225

IUPACN-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCC(=O)Nc2ccc(OC)cc2OC)cc1
InChIInChI=1S/C19H22N2O5/c1-24-14-6-4-13(5-7-14)10-18(22)20-12-19(23)21-16-9-8-15(25-2)11-17(16)26-3/h4-9,11H,10,12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyFJIXFEVCJLSSFJ-UHFFFAOYSA-N
MW358.39 g/mol
LogP2.01
Rot. Bonds8

About N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide

N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 112999225) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
PubChem CID112999225
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC NameN-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCC(=O)Nc2ccc(OC)cc2OC)cc1
InChIInChI=1S/C19H22N2O5/c1-24-14-6-4-13(5-7-14)10-18(22)20-12-19(23)21-16-9-8-15(25-2)11-17(16)26-3/h4-9,11H,10,12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyFJIXFEVCJLSSFJ-UHFFFAOYSA-N
XLogP2.01
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide (CID 112999225) is N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NCC(=O)Nc2ccc(OC)cc2OC)cc1.
What is the InChIKey of N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is FJIXFEVCJLSSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-24-14-6-4-13(5-7-14)10-18(22)20-12-19(23)21-16-9-8-15(25-2)11-17(16)26-3/h4-9,11H,10,12H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide?
N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 358.39 g/mol, XLogP of 2.01, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 112999225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).