About N-methyl-N-(2-phenoxyethyl)formamide
N-methyl-N-(2-phenoxyethyl)formamide (PubChem CID 64992361) has the molecular formula C10H13NO2
and a molecular weight of 179.22 g/mol. Its IUPAC name is N-methyl-N-(2-phenoxyethyl)formamide.
Molecular Properties
| Compound Name | N-methyl-N-(2-phenoxyethyl)formamide |
| PubChem CID | 64992361 |
| Molecular Formula | C10H13NO2 |
| Molecular Weight | 179.22 g/mol |
| Exact Mass | 179.09 |
| IUPAC Name | N-methyl-N-(2-phenoxyethyl)formamide |
| SMILES | CN(C=O)CCOc1ccccc1 |
| InChI | InChI=1S/C10H13NO2/c1-11(9-12)7-8-13-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3 |
| InChIKey | CSPWUNRZWJYEOC-UHFFFAOYSA-N |
| XLogP | 1.15 |
| TPSA | 29.54 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 13 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 179.22 |
| LogP ≤ 5 | 1.15 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-methyl-N-(2-phenoxyethyl)formamide?
The IUPAC name of N-methyl-N-(2-phenoxyethyl)formamide (CID 64992361) is N-methyl-N-(2-phenoxyethyl)formamide.
What is the SMILES notation for N-methyl-N-(2-phenoxyethyl)formamide?
The canonical SMILES for N-methyl-N-(2-phenoxyethyl)formamide is CN(C=O)CCOc1ccccc1.
What is the InChIKey of N-methyl-N-(2-phenoxyethyl)formamide?
The InChIKey is CSPWUNRZWJYEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-11(9-12)7-8-13-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3.
What are the key properties of N-methyl-N-(2-phenoxyethyl)formamide?
N-methyl-N-(2-phenoxyethyl)formamide has a molecular weight of 179.22 g/mol, XLogP of 1.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-phenoxyethyl)formamide is sourced from PubChem (CID 64992361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).