[(1R)-3-(3,4-dimethylphenyl)-1-[3-[(4-oxo-8-propoxyoctanoyl)amino]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate;2-(2,6-dioxopiperidin-3-yl)-4-[6-(2-methoxyethoxy)-2-oxohexoxy]isoindole-1,3-dione

C63H84N4O15 — CID 157469483

About [(1R)-3-(3,4-dimethylphenyl)-1-[3-[(4-oxo-8-propoxyoctanoyl)amino]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate;2-(2,6-dioxopiperidin-3-yl)-4-[6-(2-methoxyethoxy)-2-oxohexoxy]isoindole-1,3-dione

[(1R)-3-(3,4-dimethylphenyl)-1-[3-[(4-oxo-8-propoxyoctanoyl)amino]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate;2-(2,6-dioxopiperidin-3-yl)-4-[6-(2-methoxyethoxy)-2-oxohexoxy]isoindole-1,3-dione (PubChem CID 157469483) has the molecular formula C63H84N4O15 and a molecular weight of 1137.38 g/mol. Its IUPAC name is [(1R)-3-(3,4-dimethylphenyl)-1-[3-[(4-oxo-8-propoxyoctanoyl)amino]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate;2-(2,6-dioxopiperidin-3-yl)-4-[6-(2-methoxyethoxy)-2-oxohexoxy]isoindole-1,3-dione.

Molecular Properties

• Compound Name: [(1R)-3-(3,4-dimethylphenyl)-1-[3-[(4-oxo-8-propoxyoctanoyl)amino]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate;2-(2,6-dioxopiperidin-3-yl)-4-[6-(2-methoxyethoxy)-2-oxohexoxy]isoindole-1,3-dione
• PubChem CID: 157469483
• Molecular Formula: C63H84N4O15
• Molecular Weight: 1137.38 g/mol
• Exact Mass: 1136.59
• IUPAC Name: [(1R)-3-(3,4-dimethylphenyl)-1-[3-[(4-oxo-8-propoxyoctanoyl)amino]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate;2-(2,6-dioxopiperidin-3-yl)-4-[6-(2-methoxyethoxy)-2-oxohexoxy]isoindole-1,3-dione
• SMILES: CCCOCCCCC(=O)CCC(=O)Nc1cccc([C@@H](CCc2ccc(C)c(C)c2)OC(=O)[C@@H]2CCCCN2C(=O)C(=O)C(C)(C)CC)c1.COCCOCCCCC(=O)COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
• InChI: InChI=1S/C41H58N2O7.C22H26N2O8/c1-7-25-49-26-12-10-16-34(44)21-23-37(45)42-33-15-13-14-32(28-33)36(22-20-31-19-18-29(3)30(4)27-31)50-40(48)35-17-9-11-24-43(35)39(47)38(46)41(5,6)8-2;1-30-11-12-31-10-3-2-5-14(25)13-32-17-7-4-6-15-19(17)22(29)24(21(15)28)16-8-9-18(26)23-20(16)27/h13-15,18-19,27-28,35-36H,7-12,16-17,20-26H2,1-6H3,(H,42,45);4,6-7,16H,2-3,5,8-13H2,1H3,(H,23,26,27)/t35-,36+;/m0./s1
• InChIKey: BUVZHGAMFOWODE-LTJSBYPUSA-N
• XLogP: 8.66
• TPSA: 247.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 32
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1137.38
LogP ≤ 5	8.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(1R)-3-(3,4-dimethylphenyl)-1-[3-[(4-oxo-8-propoxyoctanoyl)amino]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate;2-(2,6-dioxopiperidin-3-yl)-4-[6-(2-methoxyethoxy)-2-oxohexoxy]isoindole-1,3-dione?

The IUPAC name of [(1R)-3-(3,4-dimethylphenyl)-1-[3-[(4-oxo-8-propoxyoctanoyl)amino]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate;2-(2,6-dioxopiperidin-3-yl)-4-[6-(2-methoxyethoxy)-2-oxohexoxy]isoindole-1,3-dione (CID 157469483) is [(1R)-3-(3,4-dimethylphenyl)-1-[3-[(4-oxo-8-propoxyoctanoyl)amino]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate;2-(2,6-dioxopiperidin-3-yl)-4-[6-(2-methoxyethoxy)-2-oxohexoxy]isoindole-1,3-dione.

What is the SMILES notation for [(1R)-3-(3,4-dimethylphenyl)-1-[3-[(4-oxo-8-propoxyoctanoyl)amino]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate;2-(2,6-dioxopiperidin-3-yl)-4-[6-(2-methoxyethoxy)-2-oxohexoxy]isoindole-1,3-dione?

The canonical SMILES for [(1R)-3-(3,4-dimethylphenyl)-1-[3-[(4-oxo-8-propoxyoctanoyl)amino]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate;2-(2,6-dioxopiperidin-3-yl)-4-[6-(2-methoxyethoxy)-2-oxohexoxy]isoindole-1,3-dione is CCCOCCCCC(=O)CCC(=O)Nc1cccc([C@@H](CCc2ccc(C)c(C)c2)OC(=O)[C@@H]2CCCCN2C(=O)C(=O)C(C)(C)CC)c1.COCCOCCCCC(=O)COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.

What is the InChIKey of [(1R)-3-(3,4-dimethylphenyl)-1-[3-[(4-oxo-8-propoxyoctanoyl)amino]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate;2-(2,6-dioxopiperidin-3-yl)-4-[6-(2-methoxyethoxy)-2-oxohexoxy]isoindole-1,3-dione?

The InChIKey is BUVZHGAMFOWODE-LTJSBYPUSA-N. The full InChI is InChI=1S/C41H58N2O7.C22H26N2O8/c1-7-25-49-26-12-10-16-34(44)21-23-37(45)42-33-15-13-14-32(28-33)36(22-20-31-19-18-29(3)30(4)27-31)50-40(48)35-17-9-11-24-43(35)39(47)38(46)41(5,6)8-2;1-30-11-12-31-10-3-2-5-14(25)13-32-17-7-4-6-15-19(17)22(29)24(21(15)28)16-8-9-18(26)23-20(16)27/h13-15,18-19,27-28,35-36H,7-12,16-17,20-26H2,1-6H3,(H,42,45);4,6-7,16H,2-3,5,8-13H2,1H3,(H,23,26,27)/t35-,36+;/m0./s1.

What are the key properties of [(1R)-3-(3,4-dimethylphenyl)-1-[3-[(4-oxo-8-propoxyoctanoyl)amino]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate;2-(2,6-dioxopiperidin-3-yl)-4-[6-(2-methoxyethoxy)-2-oxohexoxy]isoindole-1,3-dione?

[(1R)-3-(3,4-dimethylphenyl)-1-[3-[(4-oxo-8-propoxyoctanoyl)amino]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate;2-(2,6-dioxopiperidin-3-yl)-4-[6-(2-methoxyethoxy)-2-oxohexoxy]isoindole-1,3-dione has a molecular weight of 1137.38 g/mol, XLogP of 8.66, 32 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R)-3-(3,4-dimethylphenyl)-1-[3-[(4-oxo-8-propoxyoctanoyl)amino]phenyl]propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate;2-(2,6-dioxopiperidin-3-yl)-4-[6-(2-methoxyethoxy)-2-oxohexoxy]isoindole-1,3-dione is sourced from PubChem (CID 157469483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).