About 2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-methyl-N-phenylacetamide
2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-methyl-N-phenylacetamide (PubChem CID 113165999) has the molecular formula C20H24N2O4
and a molecular weight of 356.42 g/mol. Its IUPAC name is 2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-methyl-N-phenylacetamide.
Molecular Properties
| Compound Name | 2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-methyl-N-phenylacetamide |
| PubChem CID | 113165999 |
| Molecular Formula | C20H24N2O4 |
| Molecular Weight | 356.42 g/mol |
| Exact Mass | 356.17 |
| IUPAC Name | 2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-methyl-N-phenylacetamide |
| SMILES | COc1ccc(OCCN(CC(=O)N(C)c2ccccc2)C(C)=O)cc1 |
| InChI | InChI=1S/C20H24N2O4/c1-16(23)22(13-14-26-19-11-9-18(25-3)10-12-19)15-20(24)21(2)17-7-5-4-6-8-17/h4-12H,13-15H2,1-3H3 |
| InChIKey | ZPXUOUCWMJIXTJ-UHFFFAOYSA-N |
| XLogP | 2.59 |
| TPSA | 59.08 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Heavy Atoms | 26 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 356.42 |
| LogP ≤ 5 | 2.59 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of 2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-methyl-N-phenylacetamide?
The IUPAC name of 2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-methyl-N-phenylacetamide (CID 113165999) is 2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-methyl-N-phenylacetamide is COc1ccc(OCCN(CC(=O)N(C)c2ccccc2)C(C)=O)cc1.
What is the InChIKey of 2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-methyl-N-phenylacetamide?
The InChIKey is ZPXUOUCWMJIXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-16(23)22(13-14-26-19-11-9-18(25-3)10-12-19)15-20(24)21(2)17-7-5-4-6-8-17/h4-12H,13-15H2,1-3H3.
What are the key properties of 2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-methyl-N-phenylacetamide?
2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-methyl-N-phenylacetamide has a molecular weight of 356.42 g/mol, XLogP of 2.59, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-methyl-N-phenylacetamide is sourced from PubChem (CID 113165999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).