[3-(3,4-dimethylphenyl)-1-[3-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate;2-(2,6-dioxopiperidin-3-yl)-4-[5-[2-(2-ethoxyethoxy)ethoxy]-2-oxopentoxy]isoindole-1,3-dione

C76H106N4O22 — CID 159076767

About [3-(3,4-dimethylphenyl)-1-[3-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate;2-(2,6-dioxopiperidin-3-yl)-4-[5-[2-(2-ethoxyethoxy)ethoxy]-2-oxopentoxy]isoindole-1,3-dione

[3-(3,4-dimethylphenyl)-1-[3-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate;2-(2,6-dioxopiperidin-3-yl)-4-[5-[2-(2-ethoxyethoxy)ethoxy]-2-oxopentoxy]isoindole-1,3-dione (PubChem CID 159076767) has the molecular formula C76H106N4O22 and a molecular weight of 1427.69 g/mol. Its IUPAC name is [3-(3,4-dimethylphenyl)-1-[3-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate;2-(2,6-dioxopiperidin-3-yl)-4-[5-[2-(2-ethoxyethoxy)ethoxy]-2-oxopentoxy]isoindole-1,3-dione.

Molecular Properties

• Compound Name: [3-(3,4-dimethylphenyl)-1-[3-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate;2-(2,6-dioxopiperidin-3-yl)-4-[5-[2-(2-ethoxyethoxy)ethoxy]-2-oxopentoxy]isoindole-1,3-dione
• PubChem CID: 159076767
• Molecular Formula: C76H106N4O22
• Molecular Weight: 1427.69 g/mol
• Exact Mass: 1426.73
• IUPAC Name: [3-(3,4-dimethylphenyl)-1-[3-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate;2-(2,6-dioxopiperidin-3-yl)-4-[5-[2-(2-ethoxyethoxy)ethoxy]-2-oxopentoxy]isoindole-1,3-dione
• SMILES: CCOCCOCCOCCCC(=O)COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.CCOCCOCCOCCOCCOCCOCCNC(=O)COc1cccc(C(CCc2ccc(C)c(C)c2)OC(=O)[C@@H]2CCCCN2C(=O)[C@@H](CC)c2cc(C)c(OC)c(OC)c2)c1
• InChI: InChI=1S/C52H76N2O13.C24H30N2O9/c1-8-45(43-34-40(5)50(59-7)48(36-43)58-6)51(56)54-21-11-10-15-46(54)52(57)67-47(19-18-41-17-16-38(3)39(4)33-41)42-13-12-14-44(35-42)66-37-49(55)53-20-22-61-25-26-63-29-30-65-32-31-64-28-27-62-24-23-60-9-2;1-2-32-11-12-34-14-13-33-10-4-5-16(27)15-35-19-7-3-6-17-21(19)24(31)26(23(17)30)18-8-9-20(28)25-22(18)29/h12-14,16-17,33-36,45-47H,8-11,15,18-32,37H2,1-7H3,(H,53,55);3,6-7,18H,2,4-5,8-15H2,1H3,(H,25,28,29)/t45-,46-,47?;/m0./s1
• InChIKey: KAIQWGOTEJWNCA-RCAPEPLVSA-N
• XLogP: 7.92
• TPSA: 296.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 22
• Rotatable Bonds: 48
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1427.69
LogP ≤ 5	7.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	22

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-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate;2-(2,6-dioxopiperidin-3-yl)-4-[5-[2-(2-ethoxyethoxy)ethoxy]-2-oxopentoxy]isoindole-1,3-dione?

The IUPAC name of [3-(3,4-dimethylphenyl)-1-[3-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate;2-(2,6-dioxopiperidin-3-yl)-4-[5-[2-(2-ethoxyethoxy)ethoxy]-2-oxopentoxy]isoindole-1,3-dione (CID 159076767) is [3-(3,4-dimethylphenyl)-1-[3-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate;2-(2,6-dioxopiperidin-3-yl)-4-[5-[2-(2-ethoxyethoxy)ethoxy]-2-oxopentoxy]isoindole-1,3-dione.

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

The canonical SMILES for [3-(3,4-dimethylphenyl)-1-[3-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate;2-(2,6-dioxopiperidin-3-yl)-4-[5-[2-(2-ethoxyethoxy)ethoxy]-2-oxopentoxy]isoindole-1,3-dione is CCOCCOCCOCCCC(=O)COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.CCOCCOCCOCCOCCOCCOCCNC(=O)COc1cccc(C(CCc2ccc(C)c(C)c2)OC(=O)[C@@H]2CCCCN2C(=O)[C@@H](CC)c2cc(C)c(OC)c(OC)c2)c1.

What is the InChIKey of [3-(3,4-dimethylphenyl)-1-[3-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate;2-(2,6-dioxopiperidin-3-yl)-4-[5-[2-(2-ethoxyethoxy)ethoxy]-2-oxopentoxy]isoindole-1,3-dione?

The InChIKey is KAIQWGOTEJWNCA-RCAPEPLVSA-N. The full InChI is InChI=1S/C52H76N2O13.C24H30N2O9/c1-8-45(43-34-40(5)50(59-7)48(36-43)58-6)51(56)54-21-11-10-15-46(54)52(57)67-47(19-18-41-17-16-38(3)39(4)33-41)42-13-12-14-44(35-42)66-37-49(55)53-20-22-61-25-26-63-29-30-65-32-31-64-28-27-62-24-23-60-9-2;1-2-32-11-12-34-14-13-33-10-4-5-16(27)15-35-19-7-3-6-17-21(19)24(31)26(23(17)30)18-8-9-20(28)25-22(18)29/h12-14,16-17,33-36,45-47H,8-11,15,18-32,37H2,1-7H3,(H,53,55);3,6-7,18H,2,4-5,8-15H2,1H3,(H,25,28,29)/t45-,46-,47?;/m0./s1.

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

[3-(3,4-dimethylphenyl)-1-[3-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate;2-(2,6-dioxopiperidin-3-yl)-4-[5-[2-(2-ethoxyethoxy)ethoxy]-2-oxopentoxy]isoindole-1,3-dione has a molecular weight of 1427.69 g/mol, XLogP of 7.92, 48 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(3,4-dimethylphenyl)-1-[3-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate;2-(2,6-dioxopiperidin-3-yl)-4-[5-[2-(2-ethoxyethoxy)ethoxy]-2-oxopentoxy]isoindole-1,3-dione is sourced from PubChem (CID 159076767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).