2-(1,3-dioxoisoindol-2-yl)-N-[2-[[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]amino]propyl]-3-phenylpropanamide

C37H32N4O6 — CID 4158596

About 2-(1,3-dioxoisoindol-2-yl)-N-[2-[[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]amino]propyl]-3-phenylpropanamide

2-(1,3-dioxoisoindol-2-yl)-N-[2-[[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]amino]propyl]-3-phenylpropanamide (PubChem CID 4158596) has the molecular formula C37H32N4O6 and a molecular weight of 628.69 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-[2-[[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]amino]propyl]-3-phenylpropanamide.

Molecular Properties

• Compound Name: 2-(1,3-dioxoisoindol-2-yl)-N-[2-[[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]amino]propyl]-3-phenylpropanamide
• PubChem CID: 4158596
• Molecular Formula: C37H32N4O6
• Molecular Weight: 628.69 g/mol
• Exact Mass: 628.23
• IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)-N-[2-[[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]amino]propyl]-3-phenylpropanamide
• SMILES: CC(CNC(=O)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O)NC(=O)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O
• InChI: InChI=1S/C37H32N4O6/c1-23(39-33(43)31(21-25-14-6-3-7-15-25)41-36(46)28-18-10-11-19-29(28)37(41)47)22-38-32(42)30(20-24-12-4-2-5-13-24)40-34(44)26-16-8-9-17-27(26)35(40)45/h2-19,23,30-31H,20-22H2,1H3,(H,38,42)(H,39,43)
• InChIKey: IFHJNJXGRVZVHQ-UHFFFAOYSA-N
• XLogP: 3.42
• TPSA: 132.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	628.69
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[2-[[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]amino]propyl]-3-phenylpropanamide?

The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[2-[[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]amino]propyl]-3-phenylpropanamide (CID 4158596) is 2-(1,3-dioxoisoindol-2-yl)-N-[2-[[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]amino]propyl]-3-phenylpropanamide.

What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-[2-[[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]amino]propyl]-3-phenylpropanamide?

The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-[2-[[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]amino]propyl]-3-phenylpropanamide is CC(CNC(=O)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O)NC(=O)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O.

What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-[2-[[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]amino]propyl]-3-phenylpropanamide?

The InChIKey is IFHJNJXGRVZVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H32N4O6/c1-23(39-33(43)31(21-25-14-6-3-7-15-25)41-36(46)28-18-10-11-19-29(28)37(41)47)22-38-32(42)30(20-24-12-4-2-5-13-24)40-34(44)26-16-8-9-17-27(26)35(40)45/h2-19,23,30-31H,20-22H2,1H3,(H,38,42)(H,39,43).

What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-[2-[[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]amino]propyl]-3-phenylpropanamide?

2-(1,3-dioxoisoindol-2-yl)-N-[2-[[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]amino]propyl]-3-phenylpropanamide has a molecular weight of 628.69 g/mol, XLogP of 3.42, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1,3-dioxoisoindol-2-yl)-N-[2-[[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]amino]propyl]-3-phenylpropanamide is sourced from PubChem (CID 4158596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).