N-[2-[5-[5-(2,2-dimethylpropanoylamino)-1,3-dioxoisoindol-2-yl]naphthalen-1-yl]-1,3-dioxoisoindol-5-yl]-2,2-dimethylpropanamide

C36H32N4O6 — CID 3513479

About N-[2-[5-[5-(2,2-dimethylpropanoylamino)-1,3-dioxoisoindol-2-yl]naphthalen-1-yl]-1,3-dioxoisoindol-5-yl]-2,2-dimethylpropanamide

N-[2-[5-[5-(2,2-dimethylpropanoylamino)-1,3-dioxoisoindol-2-yl]naphthalen-1-yl]-1,3-dioxoisoindol-5-yl]-2,2-dimethylpropanamide (PubChem CID 3513479) has the molecular formula C36H32N4O6 and a molecular weight of 616.67 g/mol. Its IUPAC name is N-[2-[5-[5-(2,2-dimethylpropanoylamino)-1,3-dioxoisoindol-2-yl]naphthalen-1-yl]-1,3-dioxoisoindol-5-yl]-2,2-dimethylpropanamide.

Molecular Properties

• Compound Name: N-[2-[5-[5-(2,2-dimethylpropanoylamino)-1,3-dioxoisoindol-2-yl]naphthalen-1-yl]-1,3-dioxoisoindol-5-yl]-2,2-dimethylpropanamide
• PubChem CID: 3513479
• Molecular Formula: C36H32N4O6
• Molecular Weight: 616.67 g/mol
• Exact Mass: 616.23
• IUPAC Name: N-[2-[5-[5-(2,2-dimethylpropanoylamino)-1,3-dioxoisoindol-2-yl]naphthalen-1-yl]-1,3-dioxoisoindol-5-yl]-2,2-dimethylpropanamide
• SMILES: CC(C)(C)C(=O)Nc1ccc2c(c1)C(=O)N(c1cccc3c(N4C(=O)c5ccc(NC(=O)C(C)(C)C)cc5C4=O)cccc13)C2=O
• InChI: InChI=1S/C36H32N4O6/c1-35(2,3)33(45)37-19-13-15-23-25(17-19)31(43)39(29(23)41)27-11-7-10-22-21(27)9-8-12-28(22)40-30(42)24-16-14-20(18-26(24)32(40)44)38-34(46)36(4,5)6/h7-18H,1-6H3,(H,37,45)(H,38,46)
• InChIKey: KZQMFKZPZHHWAY-UHFFFAOYSA-N
• XLogP: 6.41
• TPSA: 132.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	616.67
LogP ≤ 5	6.41
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 N-[2-[5-[5-(2,2-dimethylpropanoylamino)-1,3-dioxoisoindol-2-yl]naphthalen-1-yl]-1,3-dioxoisoindol-5-yl]-2,2-dimethylpropanamide?

The IUPAC name of N-[2-[5-[5-(2,2-dimethylpropanoylamino)-1,3-dioxoisoindol-2-yl]naphthalen-1-yl]-1,3-dioxoisoindol-5-yl]-2,2-dimethylpropanamide (CID 3513479) is N-[2-[5-[5-(2,2-dimethylpropanoylamino)-1,3-dioxoisoindol-2-yl]naphthalen-1-yl]-1,3-dioxoisoindol-5-yl]-2,2-dimethylpropanamide.

What is the SMILES notation for N-[2-[5-[5-(2,2-dimethylpropanoylamino)-1,3-dioxoisoindol-2-yl]naphthalen-1-yl]-1,3-dioxoisoindol-5-yl]-2,2-dimethylpropanamide?

The canonical SMILES for N-[2-[5-[5-(2,2-dimethylpropanoylamino)-1,3-dioxoisoindol-2-yl]naphthalen-1-yl]-1,3-dioxoisoindol-5-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ccc2c(c1)C(=O)N(c1cccc3c(N4C(=O)c5ccc(NC(=O)C(C)(C)C)cc5C4=O)cccc13)C2=O.

What is the InChIKey of N-[2-[5-[5-(2,2-dimethylpropanoylamino)-1,3-dioxoisoindol-2-yl]naphthalen-1-yl]-1,3-dioxoisoindol-5-yl]-2,2-dimethylpropanamide?

The InChIKey is KZQMFKZPZHHWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32N4O6/c1-35(2,3)33(45)37-19-13-15-23-25(17-19)31(43)39(29(23)41)27-11-7-10-22-21(27)9-8-12-28(22)40-30(42)24-16-14-20(18-26(24)32(40)44)38-34(46)36(4,5)6/h7-18H,1-6H3,(H,37,45)(H,38,46).

What are the key properties of N-[2-[5-[5-(2,2-dimethylpropanoylamino)-1,3-dioxoisoindol-2-yl]naphthalen-1-yl]-1,3-dioxoisoindol-5-yl]-2,2-dimethylpropanamide?

N-[2-[5-[5-(2,2-dimethylpropanoylamino)-1,3-dioxoisoindol-2-yl]naphthalen-1-yl]-1,3-dioxoisoindol-5-yl]-2,2-dimethylpropanamide has a molecular weight of 616.67 g/mol, XLogP of 6.41, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[5-[5-(2,2-dimethylpropanoylamino)-1,3-dioxoisoindol-2-yl]naphthalen-1-yl]-1,3-dioxoisoindol-5-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 3513479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).