2-(2-propan-2-ylimidazol-1-yl)ethyl 2-methyl-2-[4-[[2-oxo-2-(2-phenylindolizin-3-yl)acetyl]amino]phenyl]propanoate

C34H34N4O4 — CID 24999782

About 2-(2-propan-2-ylimidazol-1-yl)ethyl 2-methyl-2-[4-[[2-oxo-2-(2-phenylindolizin-3-yl)acetyl]amino]phenyl]propanoate

2-(2-propan-2-ylimidazol-1-yl)ethyl 2-methyl-2-[4-[[2-oxo-2-(2-phenylindolizin-3-yl)acetyl]amino]phenyl]propanoate (PubChem CID 24999782) has the molecular formula C34H34N4O4 and a molecular weight of 562.67 g/mol. Its IUPAC name is 2-(2-propan-2-ylimidazol-1-yl)ethyl 2-methyl-2-[4-[[2-oxo-2-(2-phenylindolizin-3-yl)acetyl]amino]phenyl]propanoate.

Molecular Properties

• Compound Name: 2-(2-propan-2-ylimidazol-1-yl)ethyl 2-methyl-2-[4-[[2-oxo-2-(2-phenylindolizin-3-yl)acetyl]amino]phenyl]propanoate
• PubChem CID: 24999782
• Molecular Formula: C34H34N4O4
• Molecular Weight: 562.67 g/mol
• Exact Mass: 562.26
• IUPAC Name: 2-(2-propan-2-ylimidazol-1-yl)ethyl 2-methyl-2-[4-[[2-oxo-2-(2-phenylindolizin-3-yl)acetyl]amino]phenyl]propanoate
• SMILES: CC(C)c1nccn1CCOC(=O)C(C)(C)c1ccc(NC(=O)C(=O)c2c(-c3ccccc3)cc3ccccn23)cc1
• InChI: InChI=1S/C34H34N4O4/c1-23(2)31-35-17-19-37(31)20-21-42-33(41)34(3,4)25-13-15-26(16-14-25)36-32(40)30(39)29-28(24-10-6-5-7-11-24)22-27-12-8-9-18-38(27)29/h5-19,22-23H,20-21H2,1-4H3,(H,36,40)
• InChIKey: KENYPYYOYHLXAD-UHFFFAOYSA-N
• XLogP: 6.27
• TPSA: 94.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	562.67
LogP ≤ 5	6.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-ylimidazol-1-yl)ethyl 2-methyl-2-[4-[[2-oxo-2-(2-phenylindolizin-3-yl)acetyl]amino]phenyl]propanoate?

The IUPAC name of 2-(2-propan-2-ylimidazol-1-yl)ethyl 2-methyl-2-[4-[[2-oxo-2-(2-phenylindolizin-3-yl)acetyl]amino]phenyl]propanoate (CID 24999782) is 2-(2-propan-2-ylimidazol-1-yl)ethyl 2-methyl-2-[4-[[2-oxo-2-(2-phenylindolizin-3-yl)acetyl]amino]phenyl]propanoate.

What is the SMILES notation for 2-(2-propan-2-ylimidazol-1-yl)ethyl 2-methyl-2-[4-[[2-oxo-2-(2-phenylindolizin-3-yl)acetyl]amino]phenyl]propanoate?

The canonical SMILES for 2-(2-propan-2-ylimidazol-1-yl)ethyl 2-methyl-2-[4-[[2-oxo-2-(2-phenylindolizin-3-yl)acetyl]amino]phenyl]propanoate is CC(C)c1nccn1CCOC(=O)C(C)(C)c1ccc(NC(=O)C(=O)c2c(-c3ccccc3)cc3ccccn23)cc1.

What is the InChIKey of 2-(2-propan-2-ylimidazol-1-yl)ethyl 2-methyl-2-[4-[[2-oxo-2-(2-phenylindolizin-3-yl)acetyl]amino]phenyl]propanoate?

The InChIKey is KENYPYYOYHLXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N4O4/c1-23(2)31-35-17-19-37(31)20-21-42-33(41)34(3,4)25-13-15-26(16-14-25)36-32(40)30(39)29-28(24-10-6-5-7-11-24)22-27-12-8-9-18-38(27)29/h5-19,22-23H,20-21H2,1-4H3,(H,36,40).

What are the key properties of 2-(2-propan-2-ylimidazol-1-yl)ethyl 2-methyl-2-[4-[[2-oxo-2-(2-phenylindolizin-3-yl)acetyl]amino]phenyl]propanoate?

2-(2-propan-2-ylimidazol-1-yl)ethyl 2-methyl-2-[4-[[2-oxo-2-(2-phenylindolizin-3-yl)acetyl]amino]phenyl]propanoate has a molecular weight of 562.67 g/mol, XLogP of 6.27, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-propan-2-ylimidazol-1-yl)ethyl 2-methyl-2-[4-[[2-oxo-2-(2-phenylindolizin-3-yl)acetyl]amino]phenyl]propanoate is sourced from PubChem (CID 24999782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).