5-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentanoylamino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide

C38H37N5O6 — CID 171503041

About 5-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentanoylamino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide

5-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentanoylamino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide (PubChem CID 171503041) has the molecular formula C38H37N5O6 and a molecular weight of 659.74 g/mol. Its IUPAC name is 5-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentanoylamino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide.

Molecular Properties

• Compound Name: 5-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentanoylamino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
• PubChem CID: 171503041
• Molecular Formula: C38H37N5O6
• Molecular Weight: 659.74 g/mol
• Exact Mass: 659.27
• IUPAC Name: 5-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentanoylamino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
• SMILES: Cc1ccc(NC(=O)CCCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)cc1C(=O)N[C@H](C)c1cccc2ccccc12
• InChI: InChI=1S/C38H37N5O6/c1-22-16-17-25(21-29(22)35(46)40-23(2)26-12-7-10-24-9-3-4-11-27(24)26)41-32(44)15-5-6-20-39-30-14-8-13-28-34(30)38(49)43(37(28)48)31-18-19-33(45)42-36(31)47/h3-4,7-14,16-17,21,23,31,39H,5-6,15,18-20H2,1-2H3,(H,40,46)(H,41,44)(H,42,45,47)/t23-,31?/m1/s1
• InChIKey: QSBHIKNRZJRMTE-WNEYBHKTSA-N
• XLogP: 5.26
• TPSA: 153.78 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	659.74
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentanoylamino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?

The IUPAC name of 5-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentanoylamino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide (CID 171503041) is 5-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentanoylamino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide.

What is the SMILES notation for 5-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentanoylamino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?

The canonical SMILES for 5-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentanoylamino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide is Cc1ccc(NC(=O)CCCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)cc1C(=O)N[C@H](C)c1cccc2ccccc12.

What is the InChIKey of 5-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentanoylamino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?

The InChIKey is QSBHIKNRZJRMTE-WNEYBHKTSA-N. The full InChI is InChI=1S/C38H37N5O6/c1-22-16-17-25(21-29(22)35(46)40-23(2)26-12-7-10-24-9-3-4-11-27(24)26)41-32(44)15-5-6-20-39-30-14-8-13-28-34(30)38(49)43(37(28)48)31-18-19-33(45)42-36(31)47/h3-4,7-14,16-17,21,23,31,39H,5-6,15,18-20H2,1-2H3,(H,40,46)(H,41,44)(H,42,45,47)/t23-,31?/m1/s1.

What are the key properties of 5-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentanoylamino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?

5-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentanoylamino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide has a molecular weight of 659.74 g/mol, XLogP of 5.26, 11 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentanoylamino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide is sourced from PubChem (CID 171503041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).