[3-(3,4-dimethylphenyl)-1-[3-[5-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propoxy]ethoxy]ethoxy]-2-oxopentoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate

C61H75N3O14 — CID 146865248

About [3-(3,4-dimethylphenyl)-1-[3-[5-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propoxy]ethoxy]ethoxy]-2-oxopentoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate

[3-(3,4-dimethylphenyl)-1-[3-[5-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propoxy]ethoxy]ethoxy]-2-oxopentoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate (PubChem CID 146865248) has the molecular formula C61H75N3O14 and a molecular weight of 1074.28 g/mol. Its IUPAC name is [3-(3,4-dimethylphenyl)-1-[3-[5-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propoxy]ethoxy]ethoxy]-2-oxopentoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate.

Molecular Properties

• Compound Name: [3-(3,4-dimethylphenyl)-1-[3-[5-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propoxy]ethoxy]ethoxy]-2-oxopentoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate
• PubChem CID: 146865248
• Molecular Formula: C61H75N3O14
• Molecular Weight: 1074.28 g/mol
• Exact Mass: 1073.52
• IUPAC Name: [3-(3,4-dimethylphenyl)-1-[3-[5-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propoxy]ethoxy]ethoxy]-2-oxopentoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate
• SMILES: CC[C@H](C(=O)N1CCCC[C@H]1C(=O)OC(CCc1ccc(C)c(C)c1)c1cccc(OCC(=O)CCCOCCOCCOCCCc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)c1)c1cc(C)c(OC)c(OC)c1
• InChI: InChI=1S/C61H75N3O14/c1-7-48(45-34-41(4)56(73-6)54(37-45)72-5)58(68)63-26-9-8-17-52(63)61(71)78-53(24-21-43-19-18-39(2)40(3)33-43)44-14-10-16-47(36-44)77-38-46(65)15-12-28-75-30-32-76-31-29-74-27-11-13-42-20-22-49-50(35-42)60(70)64(59(49)69)51-23-25-55(66)62-57(51)67/h10,14,16,18-20,22,33-37,48,51-53H,7-9,11-13,15,17,21,23-32,38H2,1-6H3,(H,62,66,67)/t48-,51?,52-,53?/m0/s1
• InChIKey: SLSSWWKBPRTRSD-PTTQTPMRSA-N
• XLogP: 8.23
• TPSA: 202.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 29
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1074.28
LogP ≤ 5	8.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

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 [3-(3,4-dimethylphenyl)-1-[3-[5-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propoxy]ethoxy]ethoxy]-2-oxopentoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate?

The IUPAC name of [3-(3,4-dimethylphenyl)-1-[3-[5-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propoxy]ethoxy]ethoxy]-2-oxopentoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate (CID 146865248) is [3-(3,4-dimethylphenyl)-1-[3-[5-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propoxy]ethoxy]ethoxy]-2-oxopentoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate.

What is the SMILES notation for [3-(3,4-dimethylphenyl)-1-[3-[5-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propoxy]ethoxy]ethoxy]-2-oxopentoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate?

The canonical SMILES for [3-(3,4-dimethylphenyl)-1-[3-[5-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propoxy]ethoxy]ethoxy]-2-oxopentoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate is CC[C@H](C(=O)N1CCCC[C@H]1C(=O)OC(CCc1ccc(C)c(C)c1)c1cccc(OCC(=O)CCCOCCOCCOCCCc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)c1)c1cc(C)c(OC)c(OC)c1.

What is the InChIKey of [3-(3,4-dimethylphenyl)-1-[3-[5-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propoxy]ethoxy]ethoxy]-2-oxopentoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate?

The InChIKey is SLSSWWKBPRTRSD-PTTQTPMRSA-N. The full InChI is InChI=1S/C61H75N3O14/c1-7-48(45-34-41(4)56(73-6)54(37-45)72-5)58(68)63-26-9-8-17-52(63)61(71)78-53(24-21-43-19-18-39(2)40(3)33-43)44-14-10-16-47(36-44)77-38-46(65)15-12-28-75-30-32-76-31-29-74-27-11-13-42-20-22-49-50(35-42)60(70)64(59(49)69)51-23-25-55(66)62-57(51)67/h10,14,16,18-20,22,33-37,48,51-53H,7-9,11-13,15,17,21,23-32,38H2,1-6H3,(H,62,66,67)/t48-,51?,52-,53?/m0/s1.

What are the key properties of [3-(3,4-dimethylphenyl)-1-[3-[5-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propoxy]ethoxy]ethoxy]-2-oxopentoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate?

[3-(3,4-dimethylphenyl)-1-[3-[5-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propoxy]ethoxy]ethoxy]-2-oxopentoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate has a molecular weight of 1074.28 g/mol, XLogP of 8.23, 29 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(3,4-dimethylphenyl)-1-[3-[5-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propoxy]ethoxy]ethoxy]-2-oxopentoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate is sourced from PubChem (CID 146865248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).