About N-methyl-N-[1-(4-methylphenyl)ethyl]benzamide
N-methyl-N-[1-(4-methylphenyl)ethyl]benzamide (PubChem CID 60737715) has the molecular formula C17H19NO
and a molecular weight of 253.34 g/mol. Its IUPAC name is N-methyl-N-[1-(4-methylphenyl)ethyl]benzamide.
Molecular Properties
| Compound Name | N-methyl-N-[1-(4-methylphenyl)ethyl]benzamide |
| PubChem CID | 60737715 |
| Molecular Formula | C17H19NO |
| Molecular Weight | 253.34 g/mol |
| Exact Mass | 253.15 |
| IUPAC Name | N-methyl-N-[1-(4-methylphenyl)ethyl]benzamide |
| SMILES | Cc1ccc(C(C)N(C)C(=O)c2ccccc2)cc1 |
| InChI | InChI=1S/C17H19NO/c1-13-9-11-15(12-10-13)14(2)18(3)17(19)16-7-5-4-6-8-16/h4-12,14H,1-3H3 |
| InChIKey | TUYANZFAIGOLFJ-UHFFFAOYSA-N |
| XLogP | 3.83 |
| TPSA | 20.31 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 19 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 253.34 |
| LogP ≤ 5 | 3.83 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
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Frequently Asked Questions
What is the IUPAC name of N-methyl-N-[1-(4-methylphenyl)ethyl]benzamide?
The IUPAC name of N-methyl-N-[1-(4-methylphenyl)ethyl]benzamide (CID 60737715) is N-methyl-N-[1-(4-methylphenyl)ethyl]benzamide.
What is the SMILES notation for N-methyl-N-[1-(4-methylphenyl)ethyl]benzamide?
The canonical SMILES for N-methyl-N-[1-(4-methylphenyl)ethyl]benzamide is Cc1ccc(C(C)N(C)C(=O)c2ccccc2)cc1.
What is the InChIKey of N-methyl-N-[1-(4-methylphenyl)ethyl]benzamide?
The InChIKey is TUYANZFAIGOLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-13-9-11-15(12-10-13)14(2)18(3)17(19)16-7-5-4-6-8-16/h4-12,14H,1-3H3.
What are the key properties of N-methyl-N-[1-(4-methylphenyl)ethyl]benzamide?
N-methyl-N-[1-(4-methylphenyl)ethyl]benzamide has a molecular weight of 253.34 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(4-methylphenyl)ethyl]benzamide is sourced from PubChem (CID 60737715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).