(2E,4E,6E,8E)-N-[3-[2-[2-[3-[3-[2-(2-ethoxyethoxy)ethoxy]propanoylamino]propoxy]ethoxy]ethoxy]propyl]-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide;(2E,4E,6E,8E)-N-[3-[2-[2-[3-[3-(2-methoxyethoxy)propanoylamino]propoxy]ethoxy]ethoxy]propyl]-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide

C75H126N4O15 — CID 157466072

About (2E,4E,6E,8E)-N-[3-[2-[2-[3-[3-[2-(2-ethoxyethoxy)ethoxy]propanoylamino]propoxy]ethoxy]ethoxy]propyl]-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide;(2E,4E,6E,8E)-N-[3-[2-[2-[3-[3-(2-methoxyethoxy)propanoylamino]propoxy]ethoxy]ethoxy]propyl]-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide

(2E,4E,6E,8E)-N-[3-[2-[2-[3-[3-[2-(2-ethoxyethoxy)ethoxy]propanoylamino]propoxy]ethoxy]ethoxy]propyl]-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide;(2E,4E,6E,8E)-N-[3-[2-[2-[3-[3-(2-methoxyethoxy)propanoylamino]propoxy]ethoxy]ethoxy]propyl]-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide (PubChem CID 157466072) has the molecular formula C75H126N4O15 and a molecular weight of 1323.85 g/mol. Its IUPAC name is (2E,4E,6E,8E)-N-[3-[2-[2-[3-[3-[2-(2-ethoxyethoxy)ethoxy]propanoylamino]propoxy]ethoxy]ethoxy]propyl]-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide;(2E,4E,6E,8E)-N-[3-[2-[2-[3-[3-(2-methoxyethoxy)propanoylamino]propoxy]ethoxy]ethoxy]propyl]-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide.

Molecular Properties

• Compound Name: (2E,4E,6E,8E)-N-[3-[2-[2-[3-[3-[2-(2-ethoxyethoxy)ethoxy]propanoylamino]propoxy]ethoxy]ethoxy]propyl]-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide;(2E,4E,6E,8E)-N-[3-[2-[2-[3-[3-(2-methoxyethoxy)propanoylamino]propoxy]ethoxy]ethoxy]propyl]-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
• PubChem CID: 157466072
• Molecular Formula: C75H126N4O15
• Molecular Weight: 1323.85 g/mol
• Exact Mass: 1322.92
• IUPAC Name: (2E,4E,6E,8E)-N-[3-[2-[2-[3-[3-[2-(2-ethoxyethoxy)ethoxy]propanoylamino]propoxy]ethoxy]ethoxy]propyl]-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide;(2E,4E,6E,8E)-N-[3-[2-[2-[3-[3-(2-methoxyethoxy)propanoylamino]propoxy]ethoxy]ethoxy]propyl]-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
• SMILES: CCOCCOCCOCCC(=O)NCCCOCCOCCOCCCNC(=O)/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C.COCCOCCC(=O)NCCCOCCOCCOCCCNC(=O)/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C
• InChI: InChI=1S/C39H66N2O8.C36H60N2O7/c1-7-44-24-25-48-31-28-47-23-17-37(42)40-19-10-21-45-26-29-49-30-27-46-22-11-20-41-38(43)32-34(3)13-8-12-33(2)15-16-36-35(4)14-9-18-39(36,5)6;1-30(14-15-33-32(3)13-8-17-36(33,4)5)11-7-12-31(2)29-35(40)38-19-10-21-43-26-28-45-27-25-42-20-9-18-37-34(39)16-22-44-24-23-41-6/h8,12-13,15-16,32H,7,9-11,14,17-31H2,1-6H3,(H,40,42)(H,41,43);7,11-12,14-15,29H,8-10,13,16-28H2,1-6H3,(H,37,39)(H,38,40)/b13-8+,16-15+,33-12+,34-32+;12-7+,15-14+,30-11+,31-29+
• InChIKey: BUMNACURCOUPCI-DJPFFAHOSA-N
• XLogP: 11.67
• TPSA: 217.93 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 54
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1323.85
LogP ≤ 5	11.67
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E,8E)-N-[3-[2-[2-[3-[3-[2-(2-ethoxyethoxy)ethoxy]propanoylamino]propoxy]ethoxy]ethoxy]propyl]-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide;(2E,4E,6E,8E)-N-[3-[2-[2-[3-[3-(2-methoxyethoxy)propanoylamino]propoxy]ethoxy]ethoxy]propyl]-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide?

The IUPAC name of (2E,4E,6E,8E)-N-[3-[2-[2-[3-[3-[2-(2-ethoxyethoxy)ethoxy]propanoylamino]propoxy]ethoxy]ethoxy]propyl]-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide;(2E,4E,6E,8E)-N-[3-[2-[2-[3-[3-(2-methoxyethoxy)propanoylamino]propoxy]ethoxy]ethoxy]propyl]-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide (CID 157466072) is (2E,4E,6E,8E)-N-[3-[2-[2-[3-[3-[2-(2-ethoxyethoxy)ethoxy]propanoylamino]propoxy]ethoxy]ethoxy]propyl]-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide;(2E,4E,6E,8E)-N-[3-[2-[2-[3-[3-(2-methoxyethoxy)propanoylamino]propoxy]ethoxy]ethoxy]propyl]-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide.

What is the SMILES notation for (2E,4E,6E,8E)-N-[3-[2-[2-[3-[3-[2-(2-ethoxyethoxy)ethoxy]propanoylamino]propoxy]ethoxy]ethoxy]propyl]-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide;(2E,4E,6E,8E)-N-[3-[2-[2-[3-[3-(2-methoxyethoxy)propanoylamino]propoxy]ethoxy]ethoxy]propyl]-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide?

The canonical SMILES for (2E,4E,6E,8E)-N-[3-[2-[2-[3-[3-[2-(2-ethoxyethoxy)ethoxy]propanoylamino]propoxy]ethoxy]ethoxy]propyl]-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide;(2E,4E,6E,8E)-N-[3-[2-[2-[3-[3-(2-methoxyethoxy)propanoylamino]propoxy]ethoxy]ethoxy]propyl]-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide is CCOCCOCCOCCC(=O)NCCCOCCOCCOCCCNC(=O)/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C.COCCOCCC(=O)NCCCOCCOCCOCCCNC(=O)/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C.

What is the InChIKey of (2E,4E,6E,8E)-N-[3-[2-[2-[3-[3-[2-(2-ethoxyethoxy)ethoxy]propanoylamino]propoxy]ethoxy]ethoxy]propyl]-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide;(2E,4E,6E,8E)-N-[3-[2-[2-[3-[3-(2-methoxyethoxy)propanoylamino]propoxy]ethoxy]ethoxy]propyl]-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide?

The InChIKey is BUMNACURCOUPCI-DJPFFAHOSA-N. The full InChI is InChI=1S/C39H66N2O8.C36H60N2O7/c1-7-44-24-25-48-31-28-47-23-17-37(42)40-19-10-21-45-26-29-49-30-27-46-22-11-20-41-38(43)32-34(3)13-8-12-33(2)15-16-36-35(4)14-9-18-39(36,5)6;1-30(14-15-33-32(3)13-8-17-36(33,4)5)11-7-12-31(2)29-35(40)38-19-10-21-43-26-28-45-27-25-42-20-9-18-37-34(39)16-22-44-24-23-41-6/h8,12-13,15-16,32H,7,9-11,14,17-31H2,1-6H3,(H,40,42)(H,41,43);7,11-12,14-15,29H,8-10,13,16-28H2,1-6H3,(H,37,39)(H,38,40)/b13-8+,16-15+,33-12+,34-32+;12-7+,15-14+,30-11+,31-29+.

What are the key properties of (2E,4E,6E,8E)-N-[3-[2-[2-[3-[3-[2-(2-ethoxyethoxy)ethoxy]propanoylamino]propoxy]ethoxy]ethoxy]propyl]-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide;(2E,4E,6E,8E)-N-[3-[2-[2-[3-[3-(2-methoxyethoxy)propanoylamino]propoxy]ethoxy]ethoxy]propyl]-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide?

(2E,4E,6E,8E)-N-[3-[2-[2-[3-[3-[2-(2-ethoxyethoxy)ethoxy]propanoylamino]propoxy]ethoxy]ethoxy]propyl]-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide;(2E,4E,6E,8E)-N-[3-[2-[2-[3-[3-(2-methoxyethoxy)propanoylamino]propoxy]ethoxy]ethoxy]propyl]-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide has a molecular weight of 1323.85 g/mol, XLogP of 11.67, 54 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for (2E,4E,6E,8E)-N-[3-[2-[2-[3-[3-[2-(2-ethoxyethoxy)ethoxy]propanoylamino]propoxy]ethoxy]ethoxy]propyl]-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide;(2E,4E,6E,8E)-N-[3-[2-[2-[3-[3-(2-methoxyethoxy)propanoylamino]propoxy]ethoxy]ethoxy]propyl]-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide is sourced from PubChem (CID 157466072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).