2-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)-2-(2-phenylindolizin-3-yl)acetamide;[2-[[2-oxo-2-(2-phenylindolizin-3-yl)acetyl]amino]phenyl] N,N-diethylcarbamate

C51H42N6O7 — CID 160836079

About 2-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)-2-(2-phenylindolizin-3-yl)acetamide;[2-[[2-oxo-2-(2-phenylindolizin-3-yl)acetyl]amino]phenyl] N,N-diethylcarbamate

2-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)-2-(2-phenylindolizin-3-yl)acetamide;[2-[[2-oxo-2-(2-phenylindolizin-3-yl)acetyl]amino]phenyl] N,N-diethylcarbamate (PubChem CID 160836079) has the molecular formula C51H42N6O7 and a molecular weight of 850.93 g/mol. Its IUPAC name is 2-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)-2-(2-phenylindolizin-3-yl)acetamide;[2-[[2-oxo-2-(2-phenylindolizin-3-yl)acetyl]amino]phenyl] N,N-diethylcarbamate.

Molecular Properties

• Compound Name: 2-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)-2-(2-phenylindolizin-3-yl)acetamide;[2-[[2-oxo-2-(2-phenylindolizin-3-yl)acetyl]amino]phenyl] N,N-diethylcarbamate
• PubChem CID: 160836079
• Molecular Formula: C51H42N6O7
• Molecular Weight: 850.93 g/mol
• Exact Mass: 850.31
• IUPAC Name: 2-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)-2-(2-phenylindolizin-3-yl)acetamide;[2-[[2-oxo-2-(2-phenylindolizin-3-yl)acetyl]amino]phenyl] N,N-diethylcarbamate
• SMILES: CCN(CC)C(=O)Oc1ccccc1NC(=O)C(=O)c1c(-c2ccccc2)cc2ccccn12.O=C1Cc2cc(NC(=O)C(=O)c3c(-c4ccccc4)cc4ccccn34)ccc2N1
• InChI: InChI=1S/C27H25N3O4.C24H17N3O3/c1-3-29(4-2)27(33)34-23-16-9-8-15-22(23)28-26(32)25(31)24-21(19-12-6-5-7-13-19)18-20-14-10-11-17-30(20)24;28-21-13-16-12-17(9-10-20(16)26-21)25-24(30)23(29)22-19(15-6-2-1-3-7-15)14-18-8-4-5-11-27(18)22/h5-18H,3-4H2,1-2H3,(H,28,32);1-12,14H,13H2,(H,25,30)(H,26,28)
• InChIKey: SHKSWBSDKDDITD-UHFFFAOYSA-N
• XLogP: 9.19
• TPSA: 159.80 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	850.93
LogP ≤ 5	9.19
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)-2-(2-phenylindolizin-3-yl)acetamide;[2-[[2-oxo-2-(2-phenylindolizin-3-yl)acetyl]amino]phenyl] N,N-diethylcarbamate?

The IUPAC name of 2-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)-2-(2-phenylindolizin-3-yl)acetamide;[2-[[2-oxo-2-(2-phenylindolizin-3-yl)acetyl]amino]phenyl] N,N-diethylcarbamate (CID 160836079) is 2-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)-2-(2-phenylindolizin-3-yl)acetamide;[2-[[2-oxo-2-(2-phenylindolizin-3-yl)acetyl]amino]phenyl] N,N-diethylcarbamate.

What is the SMILES notation for 2-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)-2-(2-phenylindolizin-3-yl)acetamide;[2-[[2-oxo-2-(2-phenylindolizin-3-yl)acetyl]amino]phenyl] N,N-diethylcarbamate?

The canonical SMILES for 2-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)-2-(2-phenylindolizin-3-yl)acetamide;[2-[[2-oxo-2-(2-phenylindolizin-3-yl)acetyl]amino]phenyl] N,N-diethylcarbamate is CCN(CC)C(=O)Oc1ccccc1NC(=O)C(=O)c1c(-c2ccccc2)cc2ccccn12.O=C1Cc2cc(NC(=O)C(=O)c3c(-c4ccccc4)cc4ccccn34)ccc2N1.

What is the InChIKey of 2-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)-2-(2-phenylindolizin-3-yl)acetamide;[2-[[2-oxo-2-(2-phenylindolizin-3-yl)acetyl]amino]phenyl] N,N-diethylcarbamate?

The InChIKey is SHKSWBSDKDDITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O4.C24H17N3O3/c1-3-29(4-2)27(33)34-23-16-9-8-15-22(23)28-26(32)25(31)24-21(19-12-6-5-7-13-19)18-20-14-10-11-17-30(20)24;28-21-13-16-12-17(9-10-20(16)26-21)25-24(30)23(29)22-19(15-6-2-1-3-7-15)14-18-8-4-5-11-27(18)22/h5-18H,3-4H2,1-2H3,(H,28,32);1-12,14H,13H2,(H,25,30)(H,26,28).

What are the key properties of 2-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)-2-(2-phenylindolizin-3-yl)acetamide;[2-[[2-oxo-2-(2-phenylindolizin-3-yl)acetyl]amino]phenyl] N,N-diethylcarbamate?

2-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)-2-(2-phenylindolizin-3-yl)acetamide;[2-[[2-oxo-2-(2-phenylindolizin-3-yl)acetyl]amino]phenyl] N,N-diethylcarbamate has a molecular weight of 850.93 g/mol, XLogP of 9.19, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)-2-(2-phenylindolizin-3-yl)acetamide;[2-[[2-oxo-2-(2-phenylindolizin-3-yl)acetyl]amino]phenyl] N,N-diethylcarbamate is sourced from PubChem (CID 160836079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).