2-[(2S)-1-(2-methylpropanoyl)-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]-N-[(2S)-1-oxo-3-phenylpropan-2-yl]acetamide

C28H33N3O4 — CID 87979058

About 2-[(2S)-1-(2-methylpropanoyl)-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]-N-[(2S)-1-oxo-3-phenylpropan-2-yl]acetamide

2-[(2S)-1-(2-methylpropanoyl)-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]-N-[(2S)-1-oxo-3-phenylpropan-2-yl]acetamide (PubChem CID 87979058) has the molecular formula C28H33N3O4 and a molecular weight of 475.59 g/mol. Its IUPAC name is 2-[(2S)-1-(2-methylpropanoyl)-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]-N-[(2S)-1-oxo-3-phenylpropan-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-[(2S)-1-(2-methylpropanoyl)-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]-N-[(2S)-1-oxo-3-phenylpropan-2-yl]acetamide
• PubChem CID: 87979058
• Molecular Formula: C28H33N3O4
• Molecular Weight: 475.59 g/mol
• Exact Mass: 475.25
• IUPAC Name: 2-[(2S)-1-(2-methylpropanoyl)-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]-N-[(2S)-1-oxo-3-phenylpropan-2-yl]acetamide
• SMILES: CC(C)C(=O)N1C=C(c2ccccc2)N(CC(=O)N[C@H](C=O)Cc2ccccc2)C(=O)[C@@H]1C(C)C
• InChI: InChI=1S/C28H33N3O4/c1-19(2)26-28(35)30(17-25(33)29-23(18-32)15-21-11-7-5-8-12-21)24(22-13-9-6-10-14-22)16-31(26)27(34)20(3)4/h5-14,16,18-20,23,26H,15,17H2,1-4H3,(H,29,33)/t23-,26-/m0/s1
• InChIKey: FUHXTGYIIWOLHJ-OZXSUGGESA-N
• XLogP: 3.26
• TPSA: 86.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.59
LogP ≤ 5	3.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-(2-methylpropanoyl)-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]-N-[(2S)-1-oxo-3-phenylpropan-2-yl]acetamide?

The IUPAC name of 2-[(2S)-1-(2-methylpropanoyl)-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]-N-[(2S)-1-oxo-3-phenylpropan-2-yl]acetamide (CID 87979058) is 2-[(2S)-1-(2-methylpropanoyl)-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]-N-[(2S)-1-oxo-3-phenylpropan-2-yl]acetamide.

What is the SMILES notation for 2-[(2S)-1-(2-methylpropanoyl)-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]-N-[(2S)-1-oxo-3-phenylpropan-2-yl]acetamide?

The canonical SMILES for 2-[(2S)-1-(2-methylpropanoyl)-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]-N-[(2S)-1-oxo-3-phenylpropan-2-yl]acetamide is CC(C)C(=O)N1C=C(c2ccccc2)N(CC(=O)N[C@H](C=O)Cc2ccccc2)C(=O)[C@@H]1C(C)C.

What is the InChIKey of 2-[(2S)-1-(2-methylpropanoyl)-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]-N-[(2S)-1-oxo-3-phenylpropan-2-yl]acetamide?

The InChIKey is FUHXTGYIIWOLHJ-OZXSUGGESA-N. The full InChI is InChI=1S/C28H33N3O4/c1-19(2)26-28(35)30(17-25(33)29-23(18-32)15-21-11-7-5-8-12-21)24(22-13-9-6-10-14-22)16-31(26)27(34)20(3)4/h5-14,16,18-20,23,26H,15,17H2,1-4H3,(H,29,33)/t23-,26-/m0/s1.

What are the key properties of 2-[(2S)-1-(2-methylpropanoyl)-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]-N-[(2S)-1-oxo-3-phenylpropan-2-yl]acetamide?

2-[(2S)-1-(2-methylpropanoyl)-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]-N-[(2S)-1-oxo-3-phenylpropan-2-yl]acetamide has a molecular weight of 475.59 g/mol, XLogP of 3.26, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2S)-1-(2-methylpropanoyl)-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]-N-[(2S)-1-oxo-3-phenylpropan-2-yl]acetamide is sourced from PubChem (CID 87979058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).