About N-benzyl-2-ethoxy-N-(furan-2-ylmethyl)acetamide
N-benzyl-2-ethoxy-N-(furan-2-ylmethyl)acetamide (PubChem CID 52556901) has the molecular formula C16H19NO3
and a molecular weight of 273.33 g/mol. Its IUPAC name is N-benzyl-2-ethoxy-N-(furan-2-ylmethyl)acetamide.
Molecular Properties
| Compound Name | N-benzyl-2-ethoxy-N-(furan-2-ylmethyl)acetamide |
| PubChem CID | 52556901 |
| Molecular Formula | C16H19NO3 |
| Molecular Weight | 273.33 g/mol |
| Exact Mass | 273.14 |
| IUPAC Name | N-benzyl-2-ethoxy-N-(furan-2-ylmethyl)acetamide |
| SMILES | CCOCC(=O)N(Cc1ccccc1)Cc1ccco1 |
| InChI | InChI=1S/C16H19NO3/c1-2-19-13-16(18)17(12-15-9-6-10-20-15)11-14-7-4-3-5-8-14/h3-10H,2,11-13H2,1H3 |
| InChIKey | RPYNYCXGXUZSHD-UHFFFAOYSA-N |
| XLogP | 2.84 |
| TPSA | 42.68 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Heavy Atoms | 20 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 273.33 |
| LogP ≤ 5 | 2.84 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of N-benzyl-2-ethoxy-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of N-benzyl-2-ethoxy-N-(furan-2-ylmethyl)acetamide (CID 52556901) is N-benzyl-2-ethoxy-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for N-benzyl-2-ethoxy-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for N-benzyl-2-ethoxy-N-(furan-2-ylmethyl)acetamide is CCOCC(=O)N(Cc1ccccc1)Cc1ccco1.
What is the InChIKey of N-benzyl-2-ethoxy-N-(furan-2-ylmethyl)acetamide?
The InChIKey is RPYNYCXGXUZSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-2-19-13-16(18)17(12-15-9-6-10-20-15)11-14-7-4-3-5-8-14/h3-10H,2,11-13H2,1H3.
What are the key properties of N-benzyl-2-ethoxy-N-(furan-2-ylmethyl)acetamide?
N-benzyl-2-ethoxy-N-(furan-2-ylmethyl)acetamide has a molecular weight of 273.33 g/mol, XLogP of 2.84, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-ethoxy-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 52556901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).