About N-(3-aminopropyl)-2-phenoxy-N-phenylacetamide
N-(3-aminopropyl)-2-phenoxy-N-phenylacetamide (PubChem CID 28766720) has the molecular formula C17H20N2O2
and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-phenoxy-N-phenylacetamide.
Molecular Properties
| Compound Name | N-(3-aminopropyl)-2-phenoxy-N-phenylacetamide |
| PubChem CID | 28766720 |
| Molecular Formula | C17H20N2O2 |
| Molecular Weight | 284.36 g/mol |
| Exact Mass | 284.15 |
| IUPAC Name | N-(3-aminopropyl)-2-phenoxy-N-phenylacetamide |
| SMILES | NCCCN(C(=O)COc1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C17H20N2O2/c18-12-7-13-19(15-8-3-1-4-9-15)17(20)14-21-16-10-5-2-6-11-16/h1-6,8-11H,7,12-14,18H2 |
| InChIKey | FBCWSPMVKGZHII-UHFFFAOYSA-N |
| XLogP | 2.45 |
| TPSA | 55.56 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Heavy Atoms | 21 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 284.36 |
| LogP ≤ 5 | 2.45 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of N-(3-aminopropyl)-2-phenoxy-N-phenylacetamide?
The IUPAC name of N-(3-aminopropyl)-2-phenoxy-N-phenylacetamide (CID 28766720) is N-(3-aminopropyl)-2-phenoxy-N-phenylacetamide.
What is the SMILES notation for N-(3-aminopropyl)-2-phenoxy-N-phenylacetamide?
The canonical SMILES for N-(3-aminopropyl)-2-phenoxy-N-phenylacetamide is NCCCN(C(=O)COc1ccccc1)c1ccccc1.
What is the InChIKey of N-(3-aminopropyl)-2-phenoxy-N-phenylacetamide?
The InChIKey is FBCWSPMVKGZHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c18-12-7-13-19(15-8-3-1-4-9-15)17(20)14-21-16-10-5-2-6-11-16/h1-6,8-11H,7,12-14,18H2.
What are the key properties of N-(3-aminopropyl)-2-phenoxy-N-phenylacetamide?
N-(3-aminopropyl)-2-phenoxy-N-phenylacetamide has a molecular weight of 284.36 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-phenoxy-N-phenylacetamide is sourced from PubChem (CID 28766720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).