18-[[1-carboxy-2-[6-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)hexanoylamino]ethyl]amino]-18-oxooctadecanoic acid;18-[[1-carboxy-2-[3-[2-[2-[2-[2-[2-[6-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)hexanoylamino]tetradecanoylamino]tetradecanoylamino]tetradecanoylamino]ethoxy]ethoxy]propanoylamino]ethyl]amino]-18-oxooctadecanoic acid;18-[2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)ethylamino]-18-oxooctadecanoic acid;N-[2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)ethyl]icosanamide

C173H314N14O30 — CID 164999225

About 18-[[1-carboxy-2-[6-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)hexanoylamino]ethyl]amino]-18-oxooctadecanoic acid;18-[[1-carboxy-2-[3-[2-[2-[2-[2-[2-[6-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)hexanoylamino]tetradecanoylamino]tetradecanoylamino]tetradecanoylamino]ethoxy]ethoxy]propanoylamino]ethyl]amino]-18-oxooctadecanoic acid;18-[2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)ethylamino]-18-oxooctadecanoic acid;N-[2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)ethyl]icosanamide

18-[[1-carboxy-2-[6-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)hexanoylamino]ethyl]amino]-18-oxooctadecanoic acid;18-[[1-carboxy-2-[3-[2-[2-[2-[2-[2-[6-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)hexanoylamino]tetradecanoylamino]tetradecanoylamino]tetradecanoylamino]ethoxy]ethoxy]propanoylamino]ethyl]amino]-18-oxooctadecanoic acid;18-[2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)ethylamino]-18-oxooctadecanoic acid;N-[2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)ethyl]icosanamide (PubChem CID 164999225) has the molecular formula C173H314N14O30 and a molecular weight of 3070.48 g/mol. Its IUPAC name is 18-[[1-carboxy-2-[6-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)hexanoylamino]ethyl]amino]-18-oxooctadecanoic acid;18-[[1-carboxy-2-[3-[2-[2-[2-[2-[2-[6-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)hexanoylamino]tetradecanoylamino]tetradecanoylamino]tetradecanoylamino]ethoxy]ethoxy]propanoylamino]ethyl]amino]-18-oxooctadecanoic acid;18-[2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)ethylamino]-18-oxooctadecanoic acid;N-[2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)ethyl]icosanamide.

Molecular Properties

• Compound Name: 18-[[1-carboxy-2-[6-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)hexanoylamino]ethyl]amino]-18-oxooctadecanoic acid;18-[[1-carboxy-2-[3-[2-[2-[2-[2-[2-[6-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)hexanoylamino]tetradecanoylamino]tetradecanoylamino]tetradecanoylamino]ethoxy]ethoxy]propanoylamino]ethyl]amino]-18-oxooctadecanoic acid;18-[2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)ethylamino]-18-oxooctadecanoic acid;N-[2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)ethyl]icosanamide
• PubChem CID: 164999225
• Molecular Formula: C173H314N14O30
• Molecular Weight: 3070.48 g/mol
• Exact Mass: 3068.35
• IUPAC Name: 18-[[1-carboxy-2-[6-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)hexanoylamino]ethyl]amino]-18-oxooctadecanoic acid;18-[[1-carboxy-2-[3-[2-[2-[2-[2-[2-[6-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)hexanoylamino]tetradecanoylamino]tetradecanoylamino]tetradecanoylamino]ethoxy]ethoxy]propanoylamino]ethyl]amino]-18-oxooctadecanoic acid;18-[2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)ethylamino]-18-oxooctadecanoic acid;N-[2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)ethyl]icosanamide
• SMILES: CC(C)C1CC(=O)N(CCCCCC(=O)NCC(NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C1=O.CC(C)C1CC(=O)N(CCNC(=O)CCCCCCCCCCCCCCCCC(=O)O)C1=O.CCCCCCCCCCCCC(NC(=O)CCCCCN1C(=O)CC(C(C)C)C1=O)C(=O)NC(CCCCCCCCCCCC)C(=O)NC(CCCCCCCCCCCC)C(=O)NCCOCCOCCC(=O)NCC(NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O.CCCCCCCCCCCCCCCCCCCC(=O)NCCN1C(=O)CC(C(C)C)C1=O
• InChI: InChI=1S/C83H153N7O14.C34H59N3O8.C29H54N2O3.C27H48N2O5/c1-6-9-12-15-18-21-30-35-40-46-53-70(79(97)84-60-63-104-65-64-103-62-59-74(91)85-67-73(83(101)102)87-76(93)56-49-43-38-33-28-26-24-25-27-29-34-39-44-51-58-78(95)96)88-81(99)72(55-48-42-37-32-23-20-17-14-11-8-3)89-80(98)71(54-47-41-36-31-22-19-16-13-10-7-2)86-75(92)57-50-45-52-61-90-77(94)66-69(68(4)5)82(90)100;1-26(2)27-24-31(40)37(33(27)43)23-19-15-17-20-29(38)35-25-28(34(44)45)36-30(39)21-16-13-11-9-7-5-3-4-6-8-10-12-14-18-22-32(41)42;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(32)30-22-23-31-28(33)24-26(25(2)3)29(31)34;1-22(2)23-21-25(31)29(27(23)34)20-19-28-24(30)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-26(32)33/h68-73H,6-67H2,1-5H3,(H,84,97)(H,85,91)(H,86,92)(H,87,93)(H,88,99)(H,89,98)(H,95,96)(H,101,102);26-28H,3-25H2,1-2H3,(H,35,38)(H,36,39)(H,41,42)(H,44,45);25-26H,4-24H2,1-3H3,(H,30,32);22-23H,3-21H2,1-2H3,(H,28,30)(H,32,33)
• InChIKey: HZNQSFOGOXYJHM-UHFFFAOYSA-N
• XLogP: 34.74
• TPSA: 645.48 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 25
• Rotatable Bonds: 147
• Heavy Atoms: 217
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3070.48
LogP ≤ 5	34.74
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	25

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 18-[[1-carboxy-2-[6-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)hexanoylamino]ethyl]amino]-18-oxooctadecanoic acid;18-[[1-carboxy-2-[3-[2-[2-[2-[2-[2-[6-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)hexanoylamino]tetradecanoylamino]tetradecanoylamino]tetradecanoylamino]ethoxy]ethoxy]propanoylamino]ethyl]amino]-18-oxooctadecanoic acid;18-[2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)ethylamino]-18-oxooctadecanoic acid;N-[2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)ethyl]icosanamide?

The IUPAC name of 18-[[1-carboxy-2-[6-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)hexanoylamino]ethyl]amino]-18-oxooctadecanoic acid;18-[[1-carboxy-2-[3-[2-[2-[2-[2-[2-[6-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)hexanoylamino]tetradecanoylamino]tetradecanoylamino]tetradecanoylamino]ethoxy]ethoxy]propanoylamino]ethyl]amino]-18-oxooctadecanoic acid;18-[2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)ethylamino]-18-oxooctadecanoic acid;N-[2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)ethyl]icosanamide (CID 164999225) is 18-[[1-carboxy-2-[6-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)hexanoylamino]ethyl]amino]-18-oxooctadecanoic acid;18-[[1-carboxy-2-[3-[2-[2-[2-[2-[2-[6-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)hexanoylamino]tetradecanoylamino]tetradecanoylamino]tetradecanoylamino]ethoxy]ethoxy]propanoylamino]ethyl]amino]-18-oxooctadecanoic acid;18-[2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)ethylamino]-18-oxooctadecanoic acid;N-[2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)ethyl]icosanamide.

What is the SMILES notation for 18-[[1-carboxy-2-[6-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)hexanoylamino]ethyl]amino]-18-oxooctadecanoic acid;18-[[1-carboxy-2-[3-[2-[2-[2-[2-[2-[6-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)hexanoylamino]tetradecanoylamino]tetradecanoylamino]tetradecanoylamino]ethoxy]ethoxy]propanoylamino]ethyl]amino]-18-oxooctadecanoic acid;18-[2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)ethylamino]-18-oxooctadecanoic acid;N-[2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)ethyl]icosanamide?

The canonical SMILES for 18-[[1-carboxy-2-[6-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)hexanoylamino]ethyl]amino]-18-oxooctadecanoic acid;18-[[1-carboxy-2-[3-[2-[2-[2-[2-[2-[6-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)hexanoylamino]tetradecanoylamino]tetradecanoylamino]tetradecanoylamino]ethoxy]ethoxy]propanoylamino]ethyl]amino]-18-oxooctadecanoic acid;18-[2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)ethylamino]-18-oxooctadecanoic acid;N-[2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)ethyl]icosanamide is CC(C)C1CC(=O)N(CCCCCC(=O)NCC(NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C1=O.CC(C)C1CC(=O)N(CCNC(=O)CCCCCCCCCCCCCCCCC(=O)O)C1=O.CCCCCCCCCCCCC(NC(=O)CCCCCN1C(=O)CC(C(C)C)C1=O)C(=O)NC(CCCCCCCCCCCC)C(=O)NC(CCCCCCCCCCCC)C(=O)NCCOCCOCCC(=O)NCC(NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O.CCCCCCCCCCCCCCCCCCCC(=O)NCCN1C(=O)CC(C(C)C)C1=O.

What is the InChIKey of 18-[[1-carboxy-2-[6-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)hexanoylamino]ethyl]amino]-18-oxooctadecanoic acid;18-[[1-carboxy-2-[3-[2-[2-[2-[2-[2-[6-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)hexanoylamino]tetradecanoylamino]tetradecanoylamino]tetradecanoylamino]ethoxy]ethoxy]propanoylamino]ethyl]amino]-18-oxooctadecanoic acid;18-[2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)ethylamino]-18-oxooctadecanoic acid;N-[2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)ethyl]icosanamide?

The InChIKey is HZNQSFOGOXYJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H153N7O14.C34H59N3O8.C29H54N2O3.C27H48N2O5/c1-6-9-12-15-18-21-30-35-40-46-53-70(79(97)84-60-63-104-65-64-103-62-59-74(91)85-67-73(83(101)102)87-76(93)56-49-43-38-33-28-26-24-25-27-29-34-39-44-51-58-78(95)96)88-81(99)72(55-48-42-37-32-23-20-17-14-11-8-3)89-80(98)71(54-47-41-36-31-22-19-16-13-10-7-2)86-75(92)57-50-45-52-61-90-77(94)66-69(68(4)5)82(90)100;1-26(2)27-24-31(40)37(33(27)43)23-19-15-17-20-29(38)35-25-28(34(44)45)36-30(39)21-16-13-11-9-7-5-3-4-6-8-10-12-14-18-22-32(41)42;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(32)30-22-23-31-28(33)24-26(25(2)3)29(31)34;1-22(2)23-21-25(31)29(27(23)34)20-19-28-24(30)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-26(32)33/h68-73H,6-67H2,1-5H3,(H,84,97)(H,85,91)(H,86,92)(H,87,93)(H,88,99)(H,89,98)(H,95,96)(H,101,102);26-28H,3-25H2,1-2H3,(H,35,38)(H,36,39)(H,41,42)(H,44,45);25-26H,4-24H2,1-3H3,(H,30,32);22-23H,3-21H2,1-2H3,(H,28,30)(H,32,33).

What are the key properties of 18-[[1-carboxy-2-[6-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)hexanoylamino]ethyl]amino]-18-oxooctadecanoic acid;18-[[1-carboxy-2-[3-[2-[2-[2-[2-[2-[6-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)hexanoylamino]tetradecanoylamino]tetradecanoylamino]tetradecanoylamino]ethoxy]ethoxy]propanoylamino]ethyl]amino]-18-oxooctadecanoic acid;18-[2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)ethylamino]-18-oxooctadecanoic acid;N-[2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)ethyl]icosanamide?

18-[[1-carboxy-2-[6-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)hexanoylamino]ethyl]amino]-18-oxooctadecanoic acid;18-[[1-carboxy-2-[3-[2-[2-[2-[2-[2-[6-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)hexanoylamino]tetradecanoylamino]tetradecanoylamino]tetradecanoylamino]ethoxy]ethoxy]propanoylamino]ethyl]amino]-18-oxooctadecanoic acid;18-[2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)ethylamino]-18-oxooctadecanoic acid;N-[2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)ethyl]icosanamide has a molecular weight of 3070.48 g/mol, XLogP of 34.74, 147 rotatable bonds, 15 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 18-[[1-carboxy-2-[6-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)hexanoylamino]ethyl]amino]-18-oxooctadecanoic acid;18-[[1-carboxy-2-[3-[2-[2-[2-[2-[2-[6-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)hexanoylamino]tetradecanoylamino]tetradecanoylamino]tetradecanoylamino]ethoxy]ethoxy]propanoylamino]ethyl]amino]-18-oxooctadecanoic acid;18-[2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)ethylamino]-18-oxooctadecanoic acid;N-[2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)ethyl]icosanamide is sourced from PubChem (CID 164999225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).