About N-(2-methoxy-4-methylphenyl)naphthalene-1-carboxamide
N-(2-methoxy-4-methylphenyl)naphthalene-1-carboxamide (PubChem CID 66596351) has the molecular formula C19H17NO2
and a molecular weight of 291.35 g/mol. Its IUPAC name is N-(2-methoxy-4-methylphenyl)naphthalene-1-carboxamide.
Molecular Properties
| Compound Name | N-(2-methoxy-4-methylphenyl)naphthalene-1-carboxamide |
| PubChem CID | 66596351 |
| Molecular Formula | C19H17NO2 |
| Molecular Weight | 291.35 g/mol |
| Exact Mass | 291.13 |
| IUPAC Name | N-(2-methoxy-4-methylphenyl)naphthalene-1-carboxamide |
| SMILES | COc1cc(C)ccc1NC(=O)c1cccc2ccccc12 |
| InChI | InChI=1S/C19H17NO2/c1-13-10-11-17(18(12-13)22-2)20-19(21)16-9-5-7-14-6-3-4-8-15(14)16/h3-12H,1-2H3,(H,20,21) |
| InChIKey | LZGPYXSMCJNNHD-UHFFFAOYSA-N |
| XLogP | 4.41 |
| TPSA | 38.33 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 22 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 291.35 |
| LogP ≤ 5 | 4.41 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of N-(2-methoxy-4-methylphenyl)naphthalene-1-carboxamide?
The IUPAC name of N-(2-methoxy-4-methylphenyl)naphthalene-1-carboxamide (CID 66596351) is N-(2-methoxy-4-methylphenyl)naphthalene-1-carboxamide.
What is the SMILES notation for N-(2-methoxy-4-methylphenyl)naphthalene-1-carboxamide?
The canonical SMILES for N-(2-methoxy-4-methylphenyl)naphthalene-1-carboxamide is COc1cc(C)ccc1NC(=O)c1cccc2ccccc12.
What is the InChIKey of N-(2-methoxy-4-methylphenyl)naphthalene-1-carboxamide?
The InChIKey is LZGPYXSMCJNNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2/c1-13-10-11-17(18(12-13)22-2)20-19(21)16-9-5-7-14-6-3-4-8-15(14)16/h3-12H,1-2H3,(H,20,21).
What are the key properties of N-(2-methoxy-4-methylphenyl)naphthalene-1-carboxamide?
N-(2-methoxy-4-methylphenyl)naphthalene-1-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4-methylphenyl)naphthalene-1-carboxamide is sourced from PubChem (CID 66596351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).