1-N,7-N-bis[2-(2-aminoethylamino)ethyl]-2-N-butyl-11-ethyl-4,4,9,9-tetramethyl-5,10-dioxopentadecane-1,2,7-tricarboxamide;1-N,7-N-bis[2-(2-aminoethylamino)ethyl]-2-N-butyl-11-ethyl-4,4,9,9-tetramethyl-5,10,13-trioxoheptadecane-1,2,7-tricarboxamide;1-N,7-N-bis[2-(2-aminoethylamino)ethyl]-2-N,12-N-dibutyl-11-ethyl-4,4,9,9-tetramethyl-5,10-dioxododecane-1,2,7,12-tetracarboxamide;butyl 14-[2-(2-aminoethylamino)ethylamino]-7-[2-(2-aminoethylamino)ethylcarbamoyl]-12-(butylcarbamoyl)-3-ethyl-5,5,10,10-tetramethyl-4,9,14-trioxotetradecanoate

C150H291N29O24 — CID 167638302

About 1-N,7-N-bis[2-(2-aminoethylamino)ethyl]-2-N-butyl-11-ethyl-4,4,9,9-tetramethyl-5,10-dioxopentadecane-1,2,7-tricarboxamide;1-N,7-N-bis[2-(2-aminoethylamino)ethyl]-2-N-butyl-11-ethyl-4,4,9,9-tetramethyl-5,10,13-trioxoheptadecane-1,2,7-tricarboxamide;1-N,7-N-bis[2-(2-aminoethylamino)ethyl]-2-N,12-N-dibutyl-11-ethyl-4,4,9,9-tetramethyl-5,10-dioxododecane-1,2,7,12-tetracarboxamide;butyl 14-[2-(2-aminoethylamino)ethylamino]-7-[2-(2-aminoethylamino)ethylcarbamoyl]-12-(butylcarbamoyl)-3-ethyl-5,5,10,10-tetramethyl-4,9,14-trioxotetradecanoate

1-N,7-N-bis[2-(2-aminoethylamino)ethyl]-2-N-butyl-11-ethyl-4,4,9,9-tetramethyl-5,10-dioxopentadecane-1,2,7-tricarboxamide;1-N,7-N-bis[2-(2-aminoethylamino)ethyl]-2-N-butyl-11-ethyl-4,4,9,9-tetramethyl-5,10,13-trioxoheptadecane-1,2,7-tricarboxamide;1-N,7-N-bis[2-(2-aminoethylamino)ethyl]-2-N,12-N-dibutyl-11-ethyl-4,4,9,9-tetramethyl-5,10-dioxododecane-1,2,7,12-tetracarboxamide;butyl 14-[2-(2-aminoethylamino)ethylamino]-7-[2-(2-aminoethylamino)ethylcarbamoyl]-12-(butylcarbamoyl)-3-ethyl-5,5,10,10-tetramethyl-4,9,14-trioxotetradecanoate (PubChem CID 167638302) has the molecular formula C150H291N29O24 and a molecular weight of 2885.16 g/mol. Its IUPAC name is 1-N,7-N-bis[2-(2-aminoethylamino)ethyl]-2-N-butyl-11-ethyl-4,4,9,9-tetramethyl-5,10-dioxopentadecane-1,2,7-tricarboxamide;1-N,7-N-bis[2-(2-aminoethylamino)ethyl]-2-N-butyl-11-ethyl-4,4,9,9-tetramethyl-5,10,13-trioxoheptadecane-1,2,7-tricarboxamide;1-N,7-N-bis[2-(2-aminoethylamino)ethyl]-2-N,12-N-dibutyl-11-ethyl-4,4,9,9-tetramethyl-5,10-dioxododecane-1,2,7,12-tetracarboxamide;butyl 14-[2-(2-aminoethylamino)ethylamino]-7-[2-(2-aminoethylamino)ethylcarbamoyl]-12-(butylcarbamoyl)-3-ethyl-5,5,10,10-tetramethyl-4,9,14-trioxotetradecanoate.

Molecular Properties

• Compound Name: 1-N,7-N-bis[2-(2-aminoethylamino)ethyl]-2-N-butyl-11-ethyl-4,4,9,9-tetramethyl-5,10-dioxopentadecane-1,2,7-tricarboxamide;1-N,7-N-bis[2-(2-aminoethylamino)ethyl]-2-N-butyl-11-ethyl-4,4,9,9-tetramethyl-5,10,13-trioxoheptadecane-1,2,7-tricarboxamide;1-N,7-N-bis[2-(2-aminoethylamino)ethyl]-2-N,12-N-dibutyl-11-ethyl-4,4,9,9-tetramethyl-5,10-dioxododecane-1,2,7,12-tetracarboxamide;butyl 14-[2-(2-aminoethylamino)ethylamino]-7-[2-(2-aminoethylamino)ethylcarbamoyl]-12-(butylcarbamoyl)-3-ethyl-5,5,10,10-tetramethyl-4,9,14-trioxotetradecanoate
• PubChem CID: 167638302
• Molecular Formula: C150H291N29O24
• Molecular Weight: 2885.16 g/mol
• Exact Mass: 2883.24
• IUPAC Name: 1-N,7-N-bis[2-(2-aminoethylamino)ethyl]-2-N-butyl-11-ethyl-4,4,9,9-tetramethyl-5,10-dioxopentadecane-1,2,7-tricarboxamide;1-N,7-N-bis[2-(2-aminoethylamino)ethyl]-2-N-butyl-11-ethyl-4,4,9,9-tetramethyl-5,10,13-trioxoheptadecane-1,2,7-tricarboxamide;1-N,7-N-bis[2-(2-aminoethylamino)ethyl]-2-N,12-N-dibutyl-11-ethyl-4,4,9,9-tetramethyl-5,10-dioxododecane-1,2,7,12-tetracarboxamide;butyl 14-[2-(2-aminoethylamino)ethylamino]-7-[2-(2-aminoethylamino)ethylcarbamoyl]-12-(butylcarbamoyl)-3-ethyl-5,5,10,10-tetramethyl-4,9,14-trioxotetradecanoate
• SMILES: CCCCNC(=O)C(CC(=O)NCCNCCN)CC(C)(C)C(=O)CC(CC(C)(C)C(=O)C(CC)CC(=O)CCCC)C(=O)NCCNCCN.CCCCNC(=O)C(CC(=O)NCCNCCN)CC(C)(C)C(=O)CC(CC(C)(C)C(=O)C(CC)CC(=O)OCCCC)C(=O)NCCNCCN.CCCCNC(=O)C(CC(=O)NCCNCCN)CC(C)(C)C(=O)CC(CC(C)(C)C(=O)C(CC)CCCC)C(=O)NCCNCCN.CCCCNC(=O)CC(CC)C(=O)C(C)(C)CC(CC(=O)C(C)(C)CC(CC(=O)NCCNCCN)C(=O)NCCCC)C(=O)NCCNCCN
• InChI: InChI=1S/C38H74N8O6.C38H73N7O7.C38H73N7O6.C36H71N7O5/c1-8-11-15-43-32(48)24-28(10-3)34(50)38(6,7)27-29(35(51)46-22-20-42-18-14-40)23-31(47)37(4,5)26-30(36(52)45-16-12-9-2)25-33(49)44-21-19-41-17-13-39;1-8-11-15-44-36(51)30(24-32(47)43-20-18-41-16-13-39)26-37(4,5)31(46)23-29(35(50)45-21-19-42-17-14-40)27-38(6,7)34(49)28(10-3)25-33(48)52-22-12-9-2;1-8-11-13-31(46)23-28(10-3)34(49)38(6,7)27-29(35(50)45-22-20-42-18-15-40)24-32(47)37(4,5)26-30(36(51)44-16-12-9-2)25-33(48)43-21-19-41-17-14-39;1-8-11-13-27(10-3)32(46)36(6,7)26-28(33(47)43-22-20-40-18-15-38)23-30(44)35(4,5)25-29(34(48)42-16-12-9-2)24-31(45)41-21-19-39-17-14-37/h28-30,41-42H,8-27,39-40H2,1-7H3,(H,43,48)(H,44,49)(H,45,52)(H,46,51);28-30,41-42H,8-27,39-40H2,1-7H3,(H,43,47)(H,44,51)(H,45,50);28-30,41-42H,8-27,39-40H2,1-7H3,(H,43,48)(H,44,51)(H,45,50);27-29,39-40H,8-26,37-38H2,1-7H3,(H,41,45)(H,42,48)(H,43,47)
• InChIKey: OUIBTZGCWRUQTB-UHFFFAOYSA-N
• XLogP: 8.34
• TPSA: 862.63 Ų
• H-Bond Donors: 29
• H-Bond Acceptors: 40
• Rotatable Bonds: 126
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2885.16
LogP ≤ 5	8.34
H-Bond Donors ≤ 5	29
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-N,7-N-bis[2-(2-aminoethylamino)ethyl]-2-N-butyl-11-ethyl-4,4,9,9-tetramethyl-5,10-dioxopentadecane-1,2,7-tricarboxamide;1-N,7-N-bis[2-(2-aminoethylamino)ethyl]-2-N-butyl-11-ethyl-4,4,9,9-tetramethyl-5,10,13-trioxoheptadecane-1,2,7-tricarboxamide;1-N,7-N-bis[2-(2-aminoethylamino)ethyl]-2-N,12-N-dibutyl-11-ethyl-4,4,9,9-tetramethyl-5,10-dioxododecane-1,2,7,12-tetracarboxamide;butyl 14-[2-(2-aminoethylamino)ethylamino]-7-[2-(2-aminoethylamino)ethylcarbamoyl]-12-(butylcarbamoyl)-3-ethyl-5,5,10,10-tetramethyl-4,9,14-trioxotetradecanoate?

The IUPAC name of 1-N,7-N-bis[2-(2-aminoethylamino)ethyl]-2-N-butyl-11-ethyl-4,4,9,9-tetramethyl-5,10-dioxopentadecane-1,2,7-tricarboxamide;1-N,7-N-bis[2-(2-aminoethylamino)ethyl]-2-N-butyl-11-ethyl-4,4,9,9-tetramethyl-5,10,13-trioxoheptadecane-1,2,7-tricarboxamide;1-N,7-N-bis[2-(2-aminoethylamino)ethyl]-2-N,12-N-dibutyl-11-ethyl-4,4,9,9-tetramethyl-5,10-dioxododecane-1,2,7,12-tetracarboxamide;butyl 14-[2-(2-aminoethylamino)ethylamino]-7-[2-(2-aminoethylamino)ethylcarbamoyl]-12-(butylcarbamoyl)-3-ethyl-5,5,10,10-tetramethyl-4,9,14-trioxotetradecanoate (CID 167638302) is 1-N,7-N-bis[2-(2-aminoethylamino)ethyl]-2-N-butyl-11-ethyl-4,4,9,9-tetramethyl-5,10-dioxopentadecane-1,2,7-tricarboxamide;1-N,7-N-bis[2-(2-aminoethylamino)ethyl]-2-N-butyl-11-ethyl-4,4,9,9-tetramethyl-5,10,13-trioxoheptadecane-1,2,7-tricarboxamide;1-N,7-N-bis[2-(2-aminoethylamino)ethyl]-2-N,12-N-dibutyl-11-ethyl-4,4,9,9-tetramethyl-5,10-dioxododecane-1,2,7,12-tetracarboxamide;butyl 14-[2-(2-aminoethylamino)ethylamino]-7-[2-(2-aminoethylamino)ethylcarbamoyl]-12-(butylcarbamoyl)-3-ethyl-5,5,10,10-tetramethyl-4,9,14-trioxotetradecanoate.

What is the SMILES notation for 1-N,7-N-bis[2-(2-aminoethylamino)ethyl]-2-N-butyl-11-ethyl-4,4,9,9-tetramethyl-5,10-dioxopentadecane-1,2,7-tricarboxamide;1-N,7-N-bis[2-(2-aminoethylamino)ethyl]-2-N-butyl-11-ethyl-4,4,9,9-tetramethyl-5,10,13-trioxoheptadecane-1,2,7-tricarboxamide;1-N,7-N-bis[2-(2-aminoethylamino)ethyl]-2-N,12-N-dibutyl-11-ethyl-4,4,9,9-tetramethyl-5,10-dioxododecane-1,2,7,12-tetracarboxamide;butyl 14-[2-(2-aminoethylamino)ethylamino]-7-[2-(2-aminoethylamino)ethylcarbamoyl]-12-(butylcarbamoyl)-3-ethyl-5,5,10,10-tetramethyl-4,9,14-trioxotetradecanoate?

The canonical SMILES for 1-N,7-N-bis[2-(2-aminoethylamino)ethyl]-2-N-butyl-11-ethyl-4,4,9,9-tetramethyl-5,10-dioxopentadecane-1,2,7-tricarboxamide;1-N,7-N-bis[2-(2-aminoethylamino)ethyl]-2-N-butyl-11-ethyl-4,4,9,9-tetramethyl-5,10,13-trioxoheptadecane-1,2,7-tricarboxamide;1-N,7-N-bis[2-(2-aminoethylamino)ethyl]-2-N,12-N-dibutyl-11-ethyl-4,4,9,9-tetramethyl-5,10-dioxododecane-1,2,7,12-tetracarboxamide;butyl 14-[2-(2-aminoethylamino)ethylamino]-7-[2-(2-aminoethylamino)ethylcarbamoyl]-12-(butylcarbamoyl)-3-ethyl-5,5,10,10-tetramethyl-4,9,14-trioxotetradecanoate is CCCCNC(=O)C(CC(=O)NCCNCCN)CC(C)(C)C(=O)CC(CC(C)(C)C(=O)C(CC)CC(=O)CCCC)C(=O)NCCNCCN.CCCCNC(=O)C(CC(=O)NCCNCCN)CC(C)(C)C(=O)CC(CC(C)(C)C(=O)C(CC)CC(=O)OCCCC)C(=O)NCCNCCN.CCCCNC(=O)C(CC(=O)NCCNCCN)CC(C)(C)C(=O)CC(CC(C)(C)C(=O)C(CC)CCCC)C(=O)NCCNCCN.CCCCNC(=O)CC(CC)C(=O)C(C)(C)CC(CC(=O)C(C)(C)CC(CC(=O)NCCNCCN)C(=O)NCCCC)C(=O)NCCNCCN.

What is the InChIKey of 1-N,7-N-bis[2-(2-aminoethylamino)ethyl]-2-N-butyl-11-ethyl-4,4,9,9-tetramethyl-5,10-dioxopentadecane-1,2,7-tricarboxamide;1-N,7-N-bis[2-(2-aminoethylamino)ethyl]-2-N-butyl-11-ethyl-4,4,9,9-tetramethyl-5,10,13-trioxoheptadecane-1,2,7-tricarboxamide;1-N,7-N-bis[2-(2-aminoethylamino)ethyl]-2-N,12-N-dibutyl-11-ethyl-4,4,9,9-tetramethyl-5,10-dioxododecane-1,2,7,12-tetracarboxamide;butyl 14-[2-(2-aminoethylamino)ethylamino]-7-[2-(2-aminoethylamino)ethylcarbamoyl]-12-(butylcarbamoyl)-3-ethyl-5,5,10,10-tetramethyl-4,9,14-trioxotetradecanoate?

The InChIKey is OUIBTZGCWRUQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H74N8O6.C38H73N7O7.C38H73N7O6.C36H71N7O5/c1-8-11-15-43-32(48)24-28(10-3)34(50)38(6,7)27-29(35(51)46-22-20-42-18-14-40)23-31(47)37(4,5)26-30(36(52)45-16-12-9-2)25-33(49)44-21-19-41-17-13-39;1-8-11-15-44-36(51)30(24-32(47)43-20-18-41-16-13-39)26-37(4,5)31(46)23-29(35(50)45-21-19-42-17-14-40)27-38(6,7)34(49)28(10-3)25-33(48)52-22-12-9-2;1-8-11-13-31(46)23-28(10-3)34(49)38(6,7)27-29(35(50)45-22-20-42-18-15-40)24-32(47)37(4,5)26-30(36(51)44-16-12-9-2)25-33(48)43-21-19-41-17-14-39;1-8-11-13-27(10-3)32(46)36(6,7)26-28(33(47)43-22-20-40-18-15-38)23-30(44)35(4,5)25-29(34(48)42-16-12-9-2)24-31(45)41-21-19-39-17-14-37/h28-30,41-42H,8-27,39-40H2,1-7H3,(H,43,48)(H,44,49)(H,45,52)(H,46,51);28-30,41-42H,8-27,39-40H2,1-7H3,(H,43,47)(H,44,51)(H,45,50);28-30,41-42H,8-27,39-40H2,1-7H3,(H,43,48)(H,44,51)(H,45,50);27-29,39-40H,8-26,37-38H2,1-7H3,(H,41,45)(H,42,48)(H,43,47).

What are the key properties of 1-N,7-N-bis[2-(2-aminoethylamino)ethyl]-2-N-butyl-11-ethyl-4,4,9,9-tetramethyl-5,10-dioxopentadecane-1,2,7-tricarboxamide;1-N,7-N-bis[2-(2-aminoethylamino)ethyl]-2-N-butyl-11-ethyl-4,4,9,9-tetramethyl-5,10,13-trioxoheptadecane-1,2,7-tricarboxamide;1-N,7-N-bis[2-(2-aminoethylamino)ethyl]-2-N,12-N-dibutyl-11-ethyl-4,4,9,9-tetramethyl-5,10-dioxododecane-1,2,7,12-tetracarboxamide;butyl 14-[2-(2-aminoethylamino)ethylamino]-7-[2-(2-aminoethylamino)ethylcarbamoyl]-12-(butylcarbamoyl)-3-ethyl-5,5,10,10-tetramethyl-4,9,14-trioxotetradecanoate?

1-N,7-N-bis[2-(2-aminoethylamino)ethyl]-2-N-butyl-11-ethyl-4,4,9,9-tetramethyl-5,10-dioxopentadecane-1,2,7-tricarboxamide;1-N,7-N-bis[2-(2-aminoethylamino)ethyl]-2-N-butyl-11-ethyl-4,4,9,9-tetramethyl-5,10,13-trioxoheptadecane-1,2,7-tricarboxamide;1-N,7-N-bis[2-(2-aminoethylamino)ethyl]-2-N,12-N-dibutyl-11-ethyl-4,4,9,9-tetramethyl-5,10-dioxododecane-1,2,7,12-tetracarboxamide;butyl 14-[2-(2-aminoethylamino)ethylamino]-7-[2-(2-aminoethylamino)ethylcarbamoyl]-12-(butylcarbamoyl)-3-ethyl-5,5,10,10-tetramethyl-4,9,14-trioxotetradecanoate has a molecular weight of 2885.16 g/mol, XLogP of 8.34, 126 rotatable bonds, 29 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N,7-N-bis[2-(2-aminoethylamino)ethyl]-2-N-butyl-11-ethyl-4,4,9,9-tetramethyl-5,10-dioxopentadecane-1,2,7-tricarboxamide;1-N,7-N-bis[2-(2-aminoethylamino)ethyl]-2-N-butyl-11-ethyl-4,4,9,9-tetramethyl-5,10,13-trioxoheptadecane-1,2,7-tricarboxamide;1-N,7-N-bis[2-(2-aminoethylamino)ethyl]-2-N,12-N-dibutyl-11-ethyl-4,4,9,9-tetramethyl-5,10-dioxododecane-1,2,7,12-tetracarboxamide;butyl 14-[2-(2-aminoethylamino)ethylamino]-7-[2-(2-aminoethylamino)ethylcarbamoyl]-12-(butylcarbamoyl)-3-ethyl-5,5,10,10-tetramethyl-4,9,14-trioxotetradecanoate is sourced from PubChem (CID 167638302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).