2-[[2-(2,4-dimethylphenoxy)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide

C20H24N2O4 — CID 9438434

IUPAC2-[[2-(2,4-dimethylphenoxy)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(C)C(=O)COc2ccc(C)cc2C)cc1
InChIInChI=1S/C20H24N2O4/c1-14-5-10-18(15(2)11-14)26-13-20(24)22(3)12-19(23)21-16-6-8-17(25-4)9-7-16/h5-11H,12-13H2,1-4H3,(H,21,23)
InChIKeyPVOXWWIIDYSZKF-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.79
Rot. Bonds7

About 2-[[2-(2,4-dimethylphenoxy)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide

2-[[2-(2,4-dimethylphenoxy)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide (PubChem CID 9438434) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 2-[[2-(2,4-dimethylphenoxy)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(2,4-dimethylphenoxy)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide
PubChem CID9438434
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name2-[[2-(2,4-dimethylphenoxy)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(C)C(=O)COc2ccc(C)cc2C)cc1
InChIInChI=1S/C20H24N2O4/c1-14-5-10-18(15(2)11-14)26-13-20(24)22(3)12-19(23)21-16-6-8-17(25-4)9-7-16/h5-11H,12-13H2,1-4H3,(H,21,23)
InChIKeyPVOXWWIIDYSZKF-UHFFFAOYSA-N
XLogP2.79
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,4-dimethylphenoxy)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[[2-(2,4-dimethylphenoxy)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide (CID 9438434) is 2-[[2-(2,4-dimethylphenoxy)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[[2-(2,4-dimethylphenoxy)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[[2-(2,4-dimethylphenoxy)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CN(C)C(=O)COc2ccc(C)cc2C)cc1.
What is the InChIKey of 2-[[2-(2,4-dimethylphenoxy)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide?
The InChIKey is PVOXWWIIDYSZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-14-5-10-18(15(2)11-14)26-13-20(24)22(3)12-19(23)21-16-6-8-17(25-4)9-7-16/h5-11H,12-13H2,1-4H3,(H,21,23).
What are the key properties of 2-[[2-(2,4-dimethylphenoxy)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide?
2-[[2-(2,4-dimethylphenoxy)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide has a molecular weight of 356.42 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,4-dimethylphenoxy)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 9438434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).