About 4-methoxy-N-[(2-methoxyphenyl)methyl]-3-methylbenzamide
4-methoxy-N-[(2-methoxyphenyl)methyl]-3-methylbenzamide (PubChem CID 17018061) has the molecular formula C17H19NO3
and a molecular weight of 285.34 g/mol. Its IUPAC name is 4-methoxy-N-[(2-methoxyphenyl)methyl]-3-methylbenzamide.
Molecular Properties
| Compound Name | 4-methoxy-N-[(2-methoxyphenyl)methyl]-3-methylbenzamide |
| PubChem CID | 17018061 |
| Molecular Formula | C17H19NO3 |
| Molecular Weight | 285.34 g/mol |
| Exact Mass | 285.14 |
| IUPAC Name | 4-methoxy-N-[(2-methoxyphenyl)methyl]-3-methylbenzamide |
| SMILES | COc1ccc(C(=O)NCc2ccccc2OC)cc1C |
| InChI | InChI=1S/C17H19NO3/c1-12-10-13(8-9-15(12)20-2)17(19)18-11-14-6-4-5-7-16(14)21-3/h4-10H,11H2,1-3H3,(H,18,19) |
| InChIKey | BPKONTOXSNOASP-UHFFFAOYSA-N |
| XLogP | 2.94 |
| TPSA | 47.56 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 21 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 285.34 |
| LogP ≤ 5 | 2.94 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 4-methoxy-N-[(2-methoxyphenyl)methyl]-3-methylbenzamide?
The IUPAC name of 4-methoxy-N-[(2-methoxyphenyl)methyl]-3-methylbenzamide (CID 17018061) is 4-methoxy-N-[(2-methoxyphenyl)methyl]-3-methylbenzamide.
What is the SMILES notation for 4-methoxy-N-[(2-methoxyphenyl)methyl]-3-methylbenzamide?
The canonical SMILES for 4-methoxy-N-[(2-methoxyphenyl)methyl]-3-methylbenzamide is COc1ccc(C(=O)NCc2ccccc2OC)cc1C.
What is the InChIKey of 4-methoxy-N-[(2-methoxyphenyl)methyl]-3-methylbenzamide?
The InChIKey is BPKONTOXSNOASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-12-10-13(8-9-15(12)20-2)17(19)18-11-14-6-4-5-7-16(14)21-3/h4-10H,11H2,1-3H3,(H,18,19).
What are the key properties of 4-methoxy-N-[(2-methoxyphenyl)methyl]-3-methylbenzamide?
4-methoxy-N-[(2-methoxyphenyl)methyl]-3-methylbenzamide has a molecular weight of 285.34 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(2-methoxyphenyl)methyl]-3-methylbenzamide is sourced from PubChem (CID 17018061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).