ethyl (4R)-6-[(2-acetamidophenoxy)methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate

C22H23N3O5 — CID 7506179

About ethyl (4R)-6-[(2-acetamidophenoxy)methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate

ethyl (4R)-6-[(2-acetamidophenoxy)methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 7506179) has the molecular formula C22H23N3O5 and a molecular weight of 409.44 g/mol. Its IUPAC name is ethyl (4R)-6-[(2-acetamidophenoxy)methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

• Compound Name: ethyl (4R)-6-[(2-acetamidophenoxy)methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
• PubChem CID: 7506179
• Molecular Formula: C22H23N3O5
• Molecular Weight: 409.44 g/mol
• Exact Mass: 409.16
• IUPAC Name: ethyl (4R)-6-[(2-acetamidophenoxy)methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
• SMILES: CCOC(=O)C1=C(COc2ccccc2NC(C)=O)NC(=O)N[C@@H]1c1ccccc1
• InChI: InChI=1S/C22H23N3O5/c1-3-29-21(27)19-17(13-30-18-12-8-7-11-16(18)23-14(2)26)24-22(28)25-20(19)15-9-5-4-6-10-15/h4-12,20H,3,13H2,1-2H3,(H,23,26)(H2,24,25,28)/t20-/m1/s1
• InChIKey: CEBUVNIWMKJQNZ-HXUWFJFHSA-N
• XLogP: 2.90
• TPSA: 105.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.44
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of ethyl (4R)-6-[(2-acetamidophenoxy)methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate?

The IUPAC name of ethyl (4R)-6-[(2-acetamidophenoxy)methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 7506179) is ethyl (4R)-6-[(2-acetamidophenoxy)methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate.

What is the SMILES notation for ethyl (4R)-6-[(2-acetamidophenoxy)methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate?

The canonical SMILES for ethyl (4R)-6-[(2-acetamidophenoxy)methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate is CCOC(=O)C1=C(COc2ccccc2NC(C)=O)NC(=O)N[C@@H]1c1ccccc1.

What is the InChIKey of ethyl (4R)-6-[(2-acetamidophenoxy)methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate?

The InChIKey is CEBUVNIWMKJQNZ-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H23N3O5/c1-3-29-21(27)19-17(13-30-18-12-8-7-11-16(18)23-14(2)26)24-22(28)25-20(19)15-9-5-4-6-10-15/h4-12,20H,3,13H2,1-2H3,(H,23,26)(H2,24,25,28)/t20-/m1/s1.

What are the key properties of ethyl (4R)-6-[(2-acetamidophenoxy)methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate?

ethyl (4R)-6-[(2-acetamidophenoxy)methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 409.44 g/mol, XLogP of 2.90, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (4R)-6-[(2-acetamidophenoxy)methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 7506179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).