2-[2-(5-acetyl-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidin-4-yl)phenoxy]-N-phenylacetamide

C26H23N3O4 — CID 2943548

About 2-[2-(5-acetyl-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidin-4-yl)phenoxy]-N-phenylacetamide

2-[2-(5-acetyl-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidin-4-yl)phenoxy]-N-phenylacetamide (PubChem CID 2943548) has the molecular formula C26H23N3O4 and a molecular weight of 441.49 g/mol. Its IUPAC name is 2-[2-(5-acetyl-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidin-4-yl)phenoxy]-N-phenylacetamide.

Molecular Properties

• Compound Name: 2-[2-(5-acetyl-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidin-4-yl)phenoxy]-N-phenylacetamide
• PubChem CID: 2943548
• Molecular Formula: C26H23N3O4
• Molecular Weight: 441.49 g/mol
• Exact Mass: 441.17
• IUPAC Name: 2-[2-(5-acetyl-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidin-4-yl)phenoxy]-N-phenylacetamide
• SMILES: CC(=O)C1=C(c2ccccc2)NC(=O)NC1c1ccccc1OCC(=O)Nc1ccccc1
• InChI: InChI=1S/C26H23N3O4/c1-17(30)23-24(18-10-4-2-5-11-18)28-26(32)29-25(23)20-14-8-9-15-21(20)33-16-22(31)27-19-12-6-3-7-13-19/h2-15,25H,16H2,1H3,(H,27,31)(H2,28,29,32)
• InChIKey: SEGWSODPCLPIEI-UHFFFAOYSA-N
• XLogP: 4.06
• TPSA: 96.53 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.49
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-acetyl-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidin-4-yl)phenoxy]-N-phenylacetamide?

The IUPAC name of 2-[2-(5-acetyl-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidin-4-yl)phenoxy]-N-phenylacetamide (CID 2943548) is 2-[2-(5-acetyl-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidin-4-yl)phenoxy]-N-phenylacetamide.

What is the SMILES notation for 2-[2-(5-acetyl-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidin-4-yl)phenoxy]-N-phenylacetamide?

The canonical SMILES for 2-[2-(5-acetyl-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidin-4-yl)phenoxy]-N-phenylacetamide is CC(=O)C1=C(c2ccccc2)NC(=O)NC1c1ccccc1OCC(=O)Nc1ccccc1.

What is the InChIKey of 2-[2-(5-acetyl-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidin-4-yl)phenoxy]-N-phenylacetamide?

The InChIKey is SEGWSODPCLPIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O4/c1-17(30)23-24(18-10-4-2-5-11-18)28-26(32)29-25(23)20-14-8-9-15-21(20)33-16-22(31)27-19-12-6-3-7-13-19/h2-15,25H,16H2,1H3,(H,27,31)(H2,28,29,32).

What are the key properties of 2-[2-(5-acetyl-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidin-4-yl)phenoxy]-N-phenylacetamide?

2-[2-(5-acetyl-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidin-4-yl)phenoxy]-N-phenylacetamide has a molecular weight of 441.49 g/mol, XLogP of 4.06, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(5-acetyl-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidin-4-yl)phenoxy]-N-phenylacetamide is sourced from PubChem (CID 2943548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).