bis(3-pentyloctyl) 10-[[2-(dimethylamino)acetyl]amino]nonadecanedioate;bis(3-pentyloctyl) 10-[2-(dimethylamino)ethyl]nonadecanedioate;bis(3-pentyloctyl) 10-[[2-[methyl(propan-2-yl)amino]acetyl]amino]nonadecanedioate;[10-[4-(diethylamino)butoxy]-19-(3-pentyloctanoyloxy)nonadecyl] 3-pentyloctanoate;[10-[4-[ethyl(methyl)amino]butoxy]-19-(3-pentyloctanoyloxy)nonadecyl] 3-pentyloctanoate

C254H501N7O24 — CID 165103891

About bis(3-pentyloctyl) 10-[[2-(dimethylamino)acetyl]amino]nonadecanedioate;bis(3-pentyloctyl) 10-[2-(dimethylamino)ethyl]nonadecanedioate;bis(3-pentyloctyl) 10-[[2-[methyl(propan-2-yl)amino]acetyl]amino]nonadecanedioate;[10-[4-(diethylamino)butoxy]-19-(3-pentyloctanoyloxy)nonadecyl] 3-pentyloctanoate;[10-[4-[ethyl(methyl)amino]butoxy]-19-(3-pentyloctanoyloxy)nonadecyl] 3-pentyloctanoate

bis(3-pentyloctyl) 10-[[2-(dimethylamino)acetyl]amino]nonadecanedioate;bis(3-pentyloctyl) 10-[2-(dimethylamino)ethyl]nonadecanedioate;bis(3-pentyloctyl) 10-[[2-[methyl(propan-2-yl)amino]acetyl]amino]nonadecanedioate;[10-[4-(diethylamino)butoxy]-19-(3-pentyloctanoyloxy)nonadecyl] 3-pentyloctanoate;[10-[4-[ethyl(methyl)amino]butoxy]-19-(3-pentyloctanoyloxy)nonadecyl] 3-pentyloctanoate (PubChem CID 165103891) has the molecular formula C254H501N7O24 and a molecular weight of 4037.83 g/mol. Its IUPAC name is bis(3-pentyloctyl) 10-[[2-(dimethylamino)acetyl]amino]nonadecanedioate;bis(3-pentyloctyl) 10-[2-(dimethylamino)ethyl]nonadecanedioate;bis(3-pentyloctyl) 10-[[2-[methyl(propan-2-yl)amino]acetyl]amino]nonadecanedioate;[10-[4-(diethylamino)butoxy]-19-(3-pentyloctanoyloxy)nonadecyl] 3-pentyloctanoate;[10-[4-[ethyl(methyl)amino]butoxy]-19-(3-pentyloctanoyloxy)nonadecyl] 3-pentyloctanoate.

Molecular Properties

• Compound Name: bis(3-pentyloctyl) 10-[[2-(dimethylamino)acetyl]amino]nonadecanedioate;bis(3-pentyloctyl) 10-[2-(dimethylamino)ethyl]nonadecanedioate;bis(3-pentyloctyl) 10-[[2-[methyl(propan-2-yl)amino]acetyl]amino]nonadecanedioate;[10-[4-(diethylamino)butoxy]-19-(3-pentyloctanoyloxy)nonadecyl] 3-pentyloctanoate;[10-[4-[ethyl(methyl)amino]butoxy]-19-(3-pentyloctanoyloxy)nonadecyl] 3-pentyloctanoate
• PubChem CID: 165103891
• Molecular Formula: C254H501N7O24
• Molecular Weight: 4037.83 g/mol
• Exact Mass: 4034.82
• IUPAC Name: bis(3-pentyloctyl) 10-[[2-(dimethylamino)acetyl]amino]nonadecanedioate;bis(3-pentyloctyl) 10-[2-(dimethylamino)ethyl]nonadecanedioate;bis(3-pentyloctyl) 10-[[2-[methyl(propan-2-yl)amino]acetyl]amino]nonadecanedioate;[10-[4-(diethylamino)butoxy]-19-(3-pentyloctanoyloxy)nonadecyl] 3-pentyloctanoate;[10-[4-[ethyl(methyl)amino]butoxy]-19-(3-pentyloctanoyloxy)nonadecyl] 3-pentyloctanoate
• SMILES: CCCCCC(CCCCC)CC(=O)OCCCCCCCCCC(CCCCCCCCCOC(=O)CC(CCCCC)CCCCC)OCCCCN(C)CC.CCCCCC(CCCCC)CC(=O)OCCCCCCCCCC(CCCCCCCCCOC(=O)CC(CCCCC)CCCCC)OCCCCN(CC)CC.CCCCCC(CCCCC)CCOC(=O)CCCCCCCCC(CCCCCCCCC(=O)OCCC(CCCCC)CCCCC)CCN(C)C.CCCCCC(CCCCC)CCOC(=O)CCCCCCCCC(CCCCCCCCC(=O)OCCC(CCCCC)CCCCC)NC(=O)CN(C)C.CCCCCC(CCCCC)CCOC(=O)CCCCCCCCC(CCCCCCCCC(=O)OCCC(CCCCC)CCCCC)NC(=O)CN(C)C(C)C
• InChI: InChI=1S/C53H105NO5.C52H103NO5.C51H100N2O5.C49H96N2O5.C49H97NO4/c1-7-13-27-37-49(38-28-14-8-2)47-52(55)58-45-34-25-21-17-19-23-31-41-51(57-44-36-33-43-54(11-5)12-6)42-32-24-20-18-22-26-35-46-59-53(56)48-50(39-29-15-9-3)40-30-16-10-4;1-7-12-26-36-48(37-27-13-8-2)46-51(54)57-44-33-24-20-16-18-22-30-40-50(56-43-35-32-42-53(6)11-5)41-31-23-19-17-21-25-34-45-58-52(55)47-49(38-28-14-9-3)39-29-15-10-4;1-8-12-24-32-46(33-25-13-9-2)40-42-57-50(55)38-30-22-18-16-20-28-36-48(52-49(54)44-53(7)45(5)6)37-29-21-17-19-23-31-39-51(56)58-43-41-47(34-26-14-10-3)35-27-15-11-4;1-7-11-23-31-44(32-24-12-8-2)39-41-55-48(53)37-29-21-17-15-19-27-35-46(50-47(52)43-51(5)6)36-28-20-16-18-22-30-38-49(54)56-42-40-45(33-25-13-9-3)34-26-14-10-4;1-7-11-23-31-46(32-24-12-8-2)40-43-53-48(51)37-29-21-17-15-19-27-35-45(39-42-50(5)6)36-28-20-16-18-22-30-38-49(52)54-44-41-47(33-25-13-9-3)34-26-14-10-4/h49-51H,7-48H2,1-6H3;48-50H,7-47H2,1-6H3;45-48H,8-44H2,1-7H3,(H,52,54);44-46H,7-43H2,1-6H3,(H,50,52);45-47H,7-44H2,1-6H3
• InChIKey: YUSOLKQJVLIWBO-UHFFFAOYSA-N
• XLogP: 75.30
• TPSA: 355.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 29
• Rotatable Bonds: 225
• Heavy Atoms: 285
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4037.83
LogP ≤ 5	75.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(3-pentyloctyl) 10-[[2-(dimethylamino)acetyl]amino]nonadecanedioate;bis(3-pentyloctyl) 10-[2-(dimethylamino)ethyl]nonadecanedioate;bis(3-pentyloctyl) 10-[[2-[methyl(propan-2-yl)amino]acetyl]amino]nonadecanedioate;[10-[4-(diethylamino)butoxy]-19-(3-pentyloctanoyloxy)nonadecyl] 3-pentyloctanoate;[10-[4-[ethyl(methyl)amino]butoxy]-19-(3-pentyloctanoyloxy)nonadecyl] 3-pentyloctanoate?

The IUPAC name of bis(3-pentyloctyl) 10-[[2-(dimethylamino)acetyl]amino]nonadecanedioate;bis(3-pentyloctyl) 10-[2-(dimethylamino)ethyl]nonadecanedioate;bis(3-pentyloctyl) 10-[[2-[methyl(propan-2-yl)amino]acetyl]amino]nonadecanedioate;[10-[4-(diethylamino)butoxy]-19-(3-pentyloctanoyloxy)nonadecyl] 3-pentyloctanoate;[10-[4-[ethyl(methyl)amino]butoxy]-19-(3-pentyloctanoyloxy)nonadecyl] 3-pentyloctanoate (CID 165103891) is bis(3-pentyloctyl) 10-[[2-(dimethylamino)acetyl]amino]nonadecanedioate;bis(3-pentyloctyl) 10-[2-(dimethylamino)ethyl]nonadecanedioate;bis(3-pentyloctyl) 10-[[2-[methyl(propan-2-yl)amino]acetyl]amino]nonadecanedioate;[10-[4-(diethylamino)butoxy]-19-(3-pentyloctanoyloxy)nonadecyl] 3-pentyloctanoate;[10-[4-[ethyl(methyl)amino]butoxy]-19-(3-pentyloctanoyloxy)nonadecyl] 3-pentyloctanoate.

What is the SMILES notation for bis(3-pentyloctyl) 10-[[2-(dimethylamino)acetyl]amino]nonadecanedioate;bis(3-pentyloctyl) 10-[2-(dimethylamino)ethyl]nonadecanedioate;bis(3-pentyloctyl) 10-[[2-[methyl(propan-2-yl)amino]acetyl]amino]nonadecanedioate;[10-[4-(diethylamino)butoxy]-19-(3-pentyloctanoyloxy)nonadecyl] 3-pentyloctanoate;[10-[4-[ethyl(methyl)amino]butoxy]-19-(3-pentyloctanoyloxy)nonadecyl] 3-pentyloctanoate?

The canonical SMILES for bis(3-pentyloctyl) 10-[[2-(dimethylamino)acetyl]amino]nonadecanedioate;bis(3-pentyloctyl) 10-[2-(dimethylamino)ethyl]nonadecanedioate;bis(3-pentyloctyl) 10-[[2-[methyl(propan-2-yl)amino]acetyl]amino]nonadecanedioate;[10-[4-(diethylamino)butoxy]-19-(3-pentyloctanoyloxy)nonadecyl] 3-pentyloctanoate;[10-[4-[ethyl(methyl)amino]butoxy]-19-(3-pentyloctanoyloxy)nonadecyl] 3-pentyloctanoate is CCCCCC(CCCCC)CC(=O)OCCCCCCCCCC(CCCCCCCCCOC(=O)CC(CCCCC)CCCCC)OCCCCN(C)CC.CCCCCC(CCCCC)CC(=O)OCCCCCCCCCC(CCCCCCCCCOC(=O)CC(CCCCC)CCCCC)OCCCCN(CC)CC.CCCCCC(CCCCC)CCOC(=O)CCCCCCCCC(CCCCCCCCC(=O)OCCC(CCCCC)CCCCC)CCN(C)C.CCCCCC(CCCCC)CCOC(=O)CCCCCCCCC(CCCCCCCCC(=O)OCCC(CCCCC)CCCCC)NC(=O)CN(C)C.CCCCCC(CCCCC)CCOC(=O)CCCCCCCCC(CCCCCCCCC(=O)OCCC(CCCCC)CCCCC)NC(=O)CN(C)C(C)C.

What is the InChIKey of bis(3-pentyloctyl) 10-[[2-(dimethylamino)acetyl]amino]nonadecanedioate;bis(3-pentyloctyl) 10-[2-(dimethylamino)ethyl]nonadecanedioate;bis(3-pentyloctyl) 10-[[2-[methyl(propan-2-yl)amino]acetyl]amino]nonadecanedioate;[10-[4-(diethylamino)butoxy]-19-(3-pentyloctanoyloxy)nonadecyl] 3-pentyloctanoate;[10-[4-[ethyl(methyl)amino]butoxy]-19-(3-pentyloctanoyloxy)nonadecyl] 3-pentyloctanoate?

The InChIKey is YUSOLKQJVLIWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H105NO5.C52H103NO5.C51H100N2O5.C49H96N2O5.C49H97NO4/c1-7-13-27-37-49(38-28-14-8-2)47-52(55)58-45-34-25-21-17-19-23-31-41-51(57-44-36-33-43-54(11-5)12-6)42-32-24-20-18-22-26-35-46-59-53(56)48-50(39-29-15-9-3)40-30-16-10-4;1-7-12-26-36-48(37-27-13-8-2)46-51(54)57-44-33-24-20-16-18-22-30-40-50(56-43-35-32-42-53(6)11-5)41-31-23-19-17-21-25-34-45-58-52(55)47-49(38-28-14-9-3)39-29-15-10-4;1-8-12-24-32-46(33-25-13-9-2)40-42-57-50(55)38-30-22-18-16-20-28-36-48(52-49(54)44-53(7)45(5)6)37-29-21-17-19-23-31-39-51(56)58-43-41-47(34-26-14-10-3)35-27-15-11-4;1-7-11-23-31-44(32-24-12-8-2)39-41-55-48(53)37-29-21-17-15-19-27-35-46(50-47(52)43-51(5)6)36-28-20-16-18-22-30-38-49(54)56-42-40-45(33-25-13-9-3)34-26-14-10-4;1-7-11-23-31-46(32-24-12-8-2)40-43-53-48(51)37-29-21-17-15-19-27-35-45(39-42-50(5)6)36-28-20-16-18-22-30-38-49(52)54-44-41-47(33-25-13-9-3)34-26-14-10-4/h49-51H,7-48H2,1-6H3;48-50H,7-47H2,1-6H3;45-48H,8-44H2,1-7H3,(H,52,54);44-46H,7-43H2,1-6H3,(H,50,52);45-47H,7-44H2,1-6H3.

What are the key properties of bis(3-pentyloctyl) 10-[[2-(dimethylamino)acetyl]amino]nonadecanedioate;bis(3-pentyloctyl) 10-[2-(dimethylamino)ethyl]nonadecanedioate;bis(3-pentyloctyl) 10-[[2-[methyl(propan-2-yl)amino]acetyl]amino]nonadecanedioate;[10-[4-(diethylamino)butoxy]-19-(3-pentyloctanoyloxy)nonadecyl] 3-pentyloctanoate;[10-[4-[ethyl(methyl)amino]butoxy]-19-(3-pentyloctanoyloxy)nonadecyl] 3-pentyloctanoate?

bis(3-pentyloctyl) 10-[[2-(dimethylamino)acetyl]amino]nonadecanedioate;bis(3-pentyloctyl) 10-[2-(dimethylamino)ethyl]nonadecanedioate;bis(3-pentyloctyl) 10-[[2-[methyl(propan-2-yl)amino]acetyl]amino]nonadecanedioate;[10-[4-(diethylamino)butoxy]-19-(3-pentyloctanoyloxy)nonadecyl] 3-pentyloctanoate;[10-[4-[ethyl(methyl)amino]butoxy]-19-(3-pentyloctanoyloxy)nonadecyl] 3-pentyloctanoate has a molecular weight of 4037.83 g/mol, XLogP of 75.30, 225 rotatable bonds, 2 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for bis(3-pentyloctyl) 10-[[2-(dimethylamino)acetyl]amino]nonadecanedioate;bis(3-pentyloctyl) 10-[2-(dimethylamino)ethyl]nonadecanedioate;bis(3-pentyloctyl) 10-[[2-[methyl(propan-2-yl)amino]acetyl]amino]nonadecanedioate;[10-[4-(diethylamino)butoxy]-19-(3-pentyloctanoyloxy)nonadecyl] 3-pentyloctanoate;[10-[4-[ethyl(methyl)amino]butoxy]-19-(3-pentyloctanoyloxy)nonadecyl] 3-pentyloctanoate is sourced from PubChem (CID 165103891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).