bis(2-[3-[(3S)-1-[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]-5-(3,4-dimethylphenyl)-1-oxopentan-3-yl]phenoxy]acetic acid);N'-[3-[(3S)-1-[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]-5-(3,4-dimethylphenyl)-1-oxopentan-3-yl]phenyl]-N-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-6-oxoheptyl]butanediamide;N-[3-[(3S)-1-[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]-5-(3,4-dimethylphenyl)-1-oxopentan-3-yl]phenyl]-8-[2-[2-[6-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-5-oxohexoxy]ethoxy]ethoxy]-4-oxooctanamide

C183H233N11O37 — CID 158664081

About bis(2-[3-[(3S)-1-[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]-5-(3,4-dimethylphenyl)-1-oxopentan-3-yl]phenoxy]acetic acid);N'-[3-[(3S)-1-[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]-5-(3,4-dimethylphenyl)-1-oxopentan-3-yl]phenyl]-N-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-6-oxoheptyl]butanediamide;N-[3-[(3S)-1-[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]-5-(3,4-dimethylphenyl)-1-oxopentan-3-yl]phenyl]-8-[2-[2-[6-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-5-oxohexoxy]ethoxy]ethoxy]-4-oxooctanamide

bis(2-[3-[(3S)-1-[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]-5-(3,4-dimethylphenyl)-1-oxopentan-3-yl]phenoxy]acetic acid);N'-[3-[(3S)-1-[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]-5-(3,4-dimethylphenyl)-1-oxopentan-3-yl]phenyl]-N-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-6-oxoheptyl]butanediamide;N-[3-[(3S)-1-[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]-5-(3,4-dimethylphenyl)-1-oxopentan-3-yl]phenyl]-8-[2-[2-[6-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-5-oxohexoxy]ethoxy]ethoxy]-4-oxooctanamide (PubChem CID 158664081) has the molecular formula C183H233N11O37 and a molecular weight of 3178.92 g/mol. Its IUPAC name is bis(2-[3-[(3S)-1-[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]-5-(3,4-dimethylphenyl)-1-oxopentan-3-yl]phenoxy]acetic acid);N'-[3-[(3S)-1-[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]-5-(3,4-dimethylphenyl)-1-oxopentan-3-yl]phenyl]-N-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-6-oxoheptyl]butanediamide;N-[3-[(3S)-1-[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]-5-(3,4-dimethylphenyl)-1-oxopentan-3-yl]phenyl]-8-[2-[2-[6-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-5-oxohexoxy]ethoxy]ethoxy]-4-oxooctanamide.

Molecular Properties

• Compound Name: bis(2-[3-[(3S)-1-[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]-5-(3,4-dimethylphenyl)-1-oxopentan-3-yl]phenoxy]acetic acid);N'-[3-[(3S)-1-[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]-5-(3,4-dimethylphenyl)-1-oxopentan-3-yl]phenyl]-N-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-6-oxoheptyl]butanediamide;N-[3-[(3S)-1-[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]-5-(3,4-dimethylphenyl)-1-oxopentan-3-yl]phenyl]-8-[2-[2-[6-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-5-oxohexoxy]ethoxy]ethoxy]-4-oxooctanamide
• PubChem CID: 158664081
• Molecular Formula: C183H233N11O37
• Molecular Weight: 3178.92 g/mol
• Exact Mass: 3176.67
• IUPAC Name: bis(2-[3-[(3S)-1-[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]-5-(3,4-dimethylphenyl)-1-oxopentan-3-yl]phenoxy]acetic acid);N'-[3-[(3S)-1-[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]-5-(3,4-dimethylphenyl)-1-oxopentan-3-yl]phenyl]-N-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-6-oxoheptyl]butanediamide;N-[3-[(3S)-1-[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]-5-(3,4-dimethylphenyl)-1-oxopentan-3-yl]phenyl]-8-[2-[2-[6-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-5-oxohexoxy]ethoxy]ethoxy]-4-oxooctanamide
• SMILES: CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)C[C@H](CCc1ccc(C)c(C)c1)c1cccc(NC(=O)CCC(=O)CCCCOCCOCCOCCCCC(=O)COc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)c1.CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)C[C@H](CCc1ccc(C)c(C)c1)c1cccc(NC(=O)CCC(=O)NCCCCCC(=O)COc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)c1.CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)C[C@H](CCc1ccc(C)c(C)c1)c1cccc(OCC(=O)O)c1.CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)C[C@H](CCc1ccc(C)c(C)c1)c1cccc(OCC(=O)O)c1
• InChI: InChI=1S/C62H80N4O14.C55H67N5O11.2C33H43NO6/c1-6-62(4,5)57(72)61(76)65-30-10-7-20-50(65)52(69)39-45(25-24-43-23-22-41(2)42(3)37-43)44-15-13-16-46(38-44)63-54(70)28-26-47(67)17-8-11-31-77-33-35-79-36-34-78-32-12-9-18-48(68)40-80-53-21-14-19-49-56(53)60(75)66(59(49)74)51-27-29-55(71)64-58(51)73;1-6-55(4,5)50(66)54(70)59-29-11-9-18-42(59)44(62)32-38(23-22-36-21-20-34(2)35(3)30-36)37-14-12-15-39(31-37)57-47(64)27-26-46(63)56-28-10-7-8-16-40(61)33-71-45-19-13-17-41-49(45)53(69)60(52(41)68)43-24-25-48(65)58-51(43)67;2*1-6-33(4,5)31(38)32(39)34-17-8-7-12-28(34)29(35)20-26(16-15-24-14-13-22(2)23(3)18-24)25-10-9-11-27(19-25)40-21-30(36)37/h13-16,19,21-23,37-38,45,50-51H,6-12,17-18,20,24-36,39-40H2,1-5H3,(H,63,70)(H,64,71,73);12-15,17,19-21,30-31,38,42-43H,6-11,16,18,22-29,32-33H2,1-5H3,(H,56,63)(H,57,64)(H,58,65,67);2*9-11,13-14,18-19,26,28H,6-8,12,15-17,20-21H2,1-5H3,(H,36,37)/t45-,50-,51?;38-,42-,43?;2*26-,28-/m0000/s1
• InChIKey: IDDALEQFUSZKHZ-KYTHHRLJSA-N
• XLogP: 26.56
• TPSA: 662.62 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 35
• Rotatable Bonds: 84
• Heavy Atoms: 231
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3178.92
LogP ≤ 5	26.56
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	35

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 bis(2-[3-[(3S)-1-[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]-5-(3,4-dimethylphenyl)-1-oxopentan-3-yl]phenoxy]acetic acid);N'-[3-[(3S)-1-[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]-5-(3,4-dimethylphenyl)-1-oxopentan-3-yl]phenyl]-N-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-6-oxoheptyl]butanediamide;N-[3-[(3S)-1-[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]-5-(3,4-dimethylphenyl)-1-oxopentan-3-yl]phenyl]-8-[2-[2-[6-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-5-oxohexoxy]ethoxy]ethoxy]-4-oxooctanamide?

The IUPAC name of bis(2-[3-[(3S)-1-[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]-5-(3,4-dimethylphenyl)-1-oxopentan-3-yl]phenoxy]acetic acid);N'-[3-[(3S)-1-[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]-5-(3,4-dimethylphenyl)-1-oxopentan-3-yl]phenyl]-N-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-6-oxoheptyl]butanediamide;N-[3-[(3S)-1-[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]-5-(3,4-dimethylphenyl)-1-oxopentan-3-yl]phenyl]-8-[2-[2-[6-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-5-oxohexoxy]ethoxy]ethoxy]-4-oxooctanamide (CID 158664081) is bis(2-[3-[(3S)-1-[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]-5-(3,4-dimethylphenyl)-1-oxopentan-3-yl]phenoxy]acetic acid);N'-[3-[(3S)-1-[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]-5-(3,4-dimethylphenyl)-1-oxopentan-3-yl]phenyl]-N-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-6-oxoheptyl]butanediamide;N-[3-[(3S)-1-[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]-5-(3,4-dimethylphenyl)-1-oxopentan-3-yl]phenyl]-8-[2-[2-[6-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-5-oxohexoxy]ethoxy]ethoxy]-4-oxooctanamide.

What is the SMILES notation for bis(2-[3-[(3S)-1-[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]-5-(3,4-dimethylphenyl)-1-oxopentan-3-yl]phenoxy]acetic acid);N'-[3-[(3S)-1-[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]-5-(3,4-dimethylphenyl)-1-oxopentan-3-yl]phenyl]-N-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-6-oxoheptyl]butanediamide;N-[3-[(3S)-1-[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]-5-(3,4-dimethylphenyl)-1-oxopentan-3-yl]phenyl]-8-[2-[2-[6-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-5-oxohexoxy]ethoxy]ethoxy]-4-oxooctanamide?

The canonical SMILES for bis(2-[3-[(3S)-1-[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]-5-(3,4-dimethylphenyl)-1-oxopentan-3-yl]phenoxy]acetic acid);N'-[3-[(3S)-1-[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]-5-(3,4-dimethylphenyl)-1-oxopentan-3-yl]phenyl]-N-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-6-oxoheptyl]butanediamide;N-[3-[(3S)-1-[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]-5-(3,4-dimethylphenyl)-1-oxopentan-3-yl]phenyl]-8-[2-[2-[6-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-5-oxohexoxy]ethoxy]ethoxy]-4-oxooctanamide is CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)C[C@H](CCc1ccc(C)c(C)c1)c1cccc(NC(=O)CCC(=O)CCCCOCCOCCOCCCCC(=O)COc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)c1.CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)C[C@H](CCc1ccc(C)c(C)c1)c1cccc(NC(=O)CCC(=O)NCCCCCC(=O)COc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)c1.CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)C[C@H](CCc1ccc(C)c(C)c1)c1cccc(OCC(=O)O)c1.CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)C[C@H](CCc1ccc(C)c(C)c1)c1cccc(OCC(=O)O)c1.

What is the InChIKey of bis(2-[3-[(3S)-1-[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]-5-(3,4-dimethylphenyl)-1-oxopentan-3-yl]phenoxy]acetic acid);N'-[3-[(3S)-1-[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]-5-(3,4-dimethylphenyl)-1-oxopentan-3-yl]phenyl]-N-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-6-oxoheptyl]butanediamide;N-[3-[(3S)-1-[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]-5-(3,4-dimethylphenyl)-1-oxopentan-3-yl]phenyl]-8-[2-[2-[6-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-5-oxohexoxy]ethoxy]ethoxy]-4-oxooctanamide?

The InChIKey is IDDALEQFUSZKHZ-KYTHHRLJSA-N. The full InChI is InChI=1S/C62H80N4O14.C55H67N5O11.2C33H43NO6/c1-6-62(4,5)57(72)61(76)65-30-10-7-20-50(65)52(69)39-45(25-24-43-23-22-41(2)42(3)37-43)44-15-13-16-46(38-44)63-54(70)28-26-47(67)17-8-11-31-77-33-35-79-36-34-78-32-12-9-18-48(68)40-80-53-21-14-19-49-56(53)60(75)66(59(49)74)51-27-29-55(71)64-58(51)73;1-6-55(4,5)50(66)54(70)59-29-11-9-18-42(59)44(62)32-38(23-22-36-21-20-34(2)35(3)30-36)37-14-12-15-39(31-37)57-47(64)27-26-46(63)56-28-10-7-8-16-40(61)33-71-45-19-13-17-41-49(45)53(69)60(52(41)68)43-24-25-48(65)58-51(43)67;2*1-6-33(4,5)31(38)32(39)34-17-8-7-12-28(34)29(35)20-26(16-15-24-14-13-22(2)23(3)18-24)25-10-9-11-27(19-25)40-21-30(36)37/h13-16,19,21-23,37-38,45,50-51H,6-12,17-18,20,24-36,39-40H2,1-5H3,(H,63,70)(H,64,71,73);12-15,17,19-21,30-31,38,42-43H,6-11,16,18,22-29,32-33H2,1-5H3,(H,56,63)(H,57,64)(H,58,65,67);2*9-11,13-14,18-19,26,28H,6-8,12,15-17,20-21H2,1-5H3,(H,36,37)/t45-,50-,51?;38-,42-,43?;2*26-,28-/m0000/s1.

What are the key properties of bis(2-[3-[(3S)-1-[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]-5-(3,4-dimethylphenyl)-1-oxopentan-3-yl]phenoxy]acetic acid);N'-[3-[(3S)-1-[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]-5-(3,4-dimethylphenyl)-1-oxopentan-3-yl]phenyl]-N-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-6-oxoheptyl]butanediamide;N-[3-[(3S)-1-[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]-5-(3,4-dimethylphenyl)-1-oxopentan-3-yl]phenyl]-8-[2-[2-[6-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-5-oxohexoxy]ethoxy]ethoxy]-4-oxooctanamide?

bis(2-[3-[(3S)-1-[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]-5-(3,4-dimethylphenyl)-1-oxopentan-3-yl]phenoxy]acetic acid);N'-[3-[(3S)-1-[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]-5-(3,4-dimethylphenyl)-1-oxopentan-3-yl]phenyl]-N-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-6-oxoheptyl]butanediamide;N-[3-[(3S)-1-[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]-5-(3,4-dimethylphenyl)-1-oxopentan-3-yl]phenyl]-8-[2-[2-[6-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-5-oxohexoxy]ethoxy]ethoxy]-4-oxooctanamide has a molecular weight of 3178.92 g/mol, XLogP of 26.56, 84 rotatable bonds, 7 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-[3-[(3S)-1-[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]-5-(3,4-dimethylphenyl)-1-oxopentan-3-yl]phenoxy]acetic acid);N'-[3-[(3S)-1-[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]-5-(3,4-dimethylphenyl)-1-oxopentan-3-yl]phenyl]-N-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-6-oxoheptyl]butanediamide;N-[3-[(3S)-1-[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]-5-(3,4-dimethylphenyl)-1-oxopentan-3-yl]phenyl]-8-[2-[2-[6-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-5-oxohexoxy]ethoxy]ethoxy]-4-oxooctanamide is sourced from PubChem (CID 158664081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).