[3-(3,4-dimethylphenyl)-1-[2-[2-[8-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate;[3-(3,4-dimethylphenyl)-1-[2-[2-[5-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pentylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate;[3-(3,4-dimethylphenyl)-1-[4-[2-[5-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pentylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate;methane

C175H215N13O30 — CID 157194384

About [3-(3,4-dimethylphenyl)-1-[2-[2-[8-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate;[3-(3,4-dimethylphenyl)-1-[2-[2-[5-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pentylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate;[3-(3,4-dimethylphenyl)-1-[4-[2-[5-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pentylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate;methane

[3-(3,4-dimethylphenyl)-1-[2-[2-[8-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate;[3-(3,4-dimethylphenyl)-1-[2-[2-[5-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pentylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate;[3-(3,4-dimethylphenyl)-1-[4-[2-[5-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pentylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate;methane (PubChem CID 157194384) has the molecular formula C175H215N13O30 and a molecular weight of 2980.71 g/mol. Its IUPAC name is [3-(3,4-dimethylphenyl)-1-[2-[2-[8-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate;[3-(3,4-dimethylphenyl)-1-[2-[2-[5-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pentylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate;[3-(3,4-dimethylphenyl)-1-[4-[2-[5-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pentylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate;methane.

Molecular Properties

• Compound Name: [3-(3,4-dimethylphenyl)-1-[2-[2-[8-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate;[3-(3,4-dimethylphenyl)-1-[2-[2-[5-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pentylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate;[3-(3,4-dimethylphenyl)-1-[4-[2-[5-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pentylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate;methane
• PubChem CID: 157194384
• Molecular Formula: C175H215N13O30
• Molecular Weight: 2980.71 g/mol
• Exact Mass: 2978.57
• IUPAC Name: [3-(3,4-dimethylphenyl)-1-[2-[2-[8-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate;[3-(3,4-dimethylphenyl)-1-[2-[2-[5-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pentylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate;[3-(3,4-dimethylphenyl)-1-[4-[2-[5-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pentylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate;methane
• SMILES: C.C=C1CCC(N2C(=O)c3ccc(CCCCCNC(=O)COc4ccc(C(CCc5ccc(C)c(C)c5)OC(=O)[C@@H]5CCCCN5C(=O)[C@@H](CC)c5cc(C)c(OC)c(OC)c5)cc4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(CCCCCNC(=O)COc4ccccc4C(CCc4ccc(C)c(C)c4)OC(=O)[C@@H]4CCCCN4C(=O)[C@@H](CC)c4cc(C)c(OC)c(OC)c4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCCCCCCCCNC(=O)COc4ccccc4C(CCc4ccc(C)c(C)c4)OC(=O)[C@@H]4CCCCN4C(=O)[C@@H](CC)c4cc(C)c(OC)c(OC)c4)c3C2=O)C(=O)N1
• InChI: InChI=1S/C60H75N5O10.2C57H68N4O10.CH4/c1-8-44(43-35-40(4)55(73-7)52(36-43)72-6)57(68)64-33-18-15-23-49(64)60(71)75-51(30-28-42-27-25-38(2)39(3)34-42)45-20-13-14-24-50(45)74-37-53(66)62-32-17-12-10-9-11-16-31-61-47-22-19-21-46-54(47)59(70)65(58(46)69)48-29-26-41(5)63-56(48)67;1-8-42(41-31-37(4)52(69-7)50(33-41)68-6)54(64)60-29-15-13-18-47(60)57(67)71-49(27-24-40-22-20-35(2)36(3)30-40)44-17-11-12-19-48(44)70-34-51(62)58-28-14-9-10-16-39-23-25-43-45(32-39)56(66)61(55(43)65)46-26-21-38(5)59-53(46)63;1-8-44(42-31-37(4)52(69-7)50(33-42)68-6)54(64)60-29-13-11-15-48(60)57(67)71-49(27-20-40-18-16-35(2)36(3)30-40)41-21-23-43(24-22-41)70-34-51(62)58-28-12-9-10-14-39-19-25-45-46(32-39)56(66)61(55(45)65)47-26-17-38(5)59-53(47)63;/h13-14,19-22,24-25,27,34-36,44,48-49,51,61H,5,8-12,15-18,23,26,28-33,37H2,1-4,6-7H3,(H,62,66)(H,63,67);11-12,17,19-20,22-23,25,30-33,42,46-47,49H,5,8-10,13-16,18,21,24,26-29,34H2,1-4,6-7H3,(H,58,62)(H,59,63);16,18-19,21-25,30-33,44,47-49H,5,8-15,17,20,26-29,34H2,1-4,6-7H3,(H,58,62)(H,59,63);1H4/t44-,48?,49-,51?;42-,46?,47-,49?;44-,47?,48-,49?;/m000./s1
• InChIKey: AQBOJKFOHPMLEC-FCTKDHPFSA-N
• XLogP: 27.83
• TPSA: 521.67 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 31
• Rotatable Bonds: 67
• Heavy Atoms: 218
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2980.71
LogP ≤ 5	27.83
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'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-[2-[2-[8-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate;[3-(3,4-dimethylphenyl)-1-[2-[2-[5-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pentylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate;[3-(3,4-dimethylphenyl)-1-[4-[2-[5-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pentylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate;methane?

The IUPAC name of [3-(3,4-dimethylphenyl)-1-[2-[2-[8-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate;[3-(3,4-dimethylphenyl)-1-[2-[2-[5-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pentylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate;[3-(3,4-dimethylphenyl)-1-[4-[2-[5-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pentylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate;methane (CID 157194384) is [3-(3,4-dimethylphenyl)-1-[2-[2-[8-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate;[3-(3,4-dimethylphenyl)-1-[2-[2-[5-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pentylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate;[3-(3,4-dimethylphenyl)-1-[4-[2-[5-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pentylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate;methane.

What is the SMILES notation for [3-(3,4-dimethylphenyl)-1-[2-[2-[8-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate;[3-(3,4-dimethylphenyl)-1-[2-[2-[5-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pentylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate;[3-(3,4-dimethylphenyl)-1-[4-[2-[5-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pentylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate;methane?

The canonical SMILES for [3-(3,4-dimethylphenyl)-1-[2-[2-[8-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate;[3-(3,4-dimethylphenyl)-1-[2-[2-[5-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pentylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate;[3-(3,4-dimethylphenyl)-1-[4-[2-[5-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pentylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate;methane is C.C=C1CCC(N2C(=O)c3ccc(CCCCCNC(=O)COc4ccc(C(CCc5ccc(C)c(C)c5)OC(=O)[C@@H]5CCCCN5C(=O)[C@@H](CC)c5cc(C)c(OC)c(OC)c5)cc4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(CCCCCNC(=O)COc4ccccc4C(CCc4ccc(C)c(C)c4)OC(=O)[C@@H]4CCCCN4C(=O)[C@@H](CC)c4cc(C)c(OC)c(OC)c4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCCCCCCCCNC(=O)COc4ccccc4C(CCc4ccc(C)c(C)c4)OC(=O)[C@@H]4CCCCN4C(=O)[C@@H](CC)c4cc(C)c(OC)c(OC)c4)c3C2=O)C(=O)N1.

What is the InChIKey of [3-(3,4-dimethylphenyl)-1-[2-[2-[8-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate;[3-(3,4-dimethylphenyl)-1-[2-[2-[5-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pentylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate;[3-(3,4-dimethylphenyl)-1-[4-[2-[5-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pentylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate;methane?

The InChIKey is AQBOJKFOHPMLEC-FCTKDHPFSA-N. The full InChI is InChI=1S/C60H75N5O10.2C57H68N4O10.CH4/c1-8-44(43-35-40(4)55(73-7)52(36-43)72-6)57(68)64-33-18-15-23-49(64)60(71)75-51(30-28-42-27-25-38(2)39(3)34-42)45-20-13-14-24-50(45)74-37-53(66)62-32-17-12-10-9-11-16-31-61-47-22-19-21-46-54(47)59(70)65(58(46)69)48-29-26-41(5)63-56(48)67;1-8-42(41-31-37(4)52(69-7)50(33-41)68-6)54(64)60-29-15-13-18-47(60)57(67)71-49(27-24-40-22-20-35(2)36(3)30-40)44-17-11-12-19-48(44)70-34-51(62)58-28-14-9-10-16-39-23-25-43-45(32-39)56(66)61(55(43)65)46-26-21-38(5)59-53(46)63;1-8-44(42-31-37(4)52(69-7)50(33-42)68-6)54(64)60-29-13-11-15-48(60)57(67)71-49(27-20-40-18-16-35(2)36(3)30-40)41-21-23-43(24-22-41)70-34-51(62)58-28-12-9-10-14-39-19-25-45-46(32-39)56(66)61(55(45)65)47-26-17-38(5)59-53(47)63;/h13-14,19-22,24-25,27,34-36,44,48-49,51,61H,5,8-12,15-18,23,26,28-33,37H2,1-4,6-7H3,(H,62,66)(H,63,67);11-12,17,19-20,22-23,25,30-33,42,46-47,49H,5,8-10,13-16,18,21,24,26-29,34H2,1-4,6-7H3,(H,58,62)(H,59,63);16,18-19,21-25,30-33,44,47-49H,5,8-15,17,20,26-29,34H2,1-4,6-7H3,(H,58,62)(H,59,63);1H4/t44-,48?,49-,51?;42-,46?,47-,49?;44-,47?,48-,49?;/m000./s1.

What are the key properties of [3-(3,4-dimethylphenyl)-1-[2-[2-[8-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate;[3-(3,4-dimethylphenyl)-1-[2-[2-[5-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pentylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate;[3-(3,4-dimethylphenyl)-1-[4-[2-[5-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pentylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate;methane?

[3-(3,4-dimethylphenyl)-1-[2-[2-[8-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate;[3-(3,4-dimethylphenyl)-1-[2-[2-[5-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pentylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate;[3-(3,4-dimethylphenyl)-1-[4-[2-[5-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pentylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate;methane has a molecular weight of 2980.71 g/mol, XLogP of 27.83, 67 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(3,4-dimethylphenyl)-1-[2-[2-[8-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate;[3-(3,4-dimethylphenyl)-1-[2-[2-[5-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pentylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate;[3-(3,4-dimethylphenyl)-1-[4-[2-[5-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pentylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4-dimethoxy-5-methylphenyl)butanoyl]piperidine-2-carboxylate;methane is sourced from PubChem (CID 157194384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).