About 1-(4-acetylphenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea
1-(4-acetylphenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea (PubChem CID 113215697) has the molecular formula C19H20N2O3
and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea.
Molecular Properties
| Compound Name | 1-(4-acetylphenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea |
| PubChem CID | 113215697 |
| Molecular Formula | C19H20N2O3 |
| Molecular Weight | 324.38 g/mol |
| Exact Mass | 324.15 |
| IUPAC Name | 1-(4-acetylphenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea |
| SMILES | COc1ccc(C2(NC(=O)Nc3ccc(C(C)=O)cc3)CC2)cc1 |
| InChI | InChI=1S/C19H20N2O3/c1-13(22)14-3-7-16(8-4-14)20-18(23)21-19(11-12-19)15-5-9-17(24-2)10-6-15/h3-10H,11-12H2,1-2H3,(H2,20,21,23) |
| InChIKey | FTCGOCUCZICHRW-UHFFFAOYSA-N |
| XLogP | 3.71 |
| TPSA | 67.43 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 24 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 324.38 |
| LogP ≤ 5 | 3.71 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 1-(4-acetylphenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea?
The IUPAC name of 1-(4-acetylphenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea (CID 113215697) is 1-(4-acetylphenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea.
What is the SMILES notation for 1-(4-acetylphenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea?
The canonical SMILES for 1-(4-acetylphenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea is COc1ccc(C2(NC(=O)Nc3ccc(C(C)=O)cc3)CC2)cc1.
What is the InChIKey of 1-(4-acetylphenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea?
The InChIKey is FTCGOCUCZICHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-13(22)14-3-7-16(8-4-14)20-18(23)21-19(11-12-19)15-5-9-17(24-2)10-6-15/h3-10H,11-12H2,1-2H3,(H2,20,21,23).
What are the key properties of 1-(4-acetylphenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea?
1-(4-acetylphenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea has a molecular weight of 324.38 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea is sourced from PubChem (CID 113215697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).