(2S,5E,7E,9E,11E)-2-[4-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]butyl]-6,10-dimethyl-4-oxo-N-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-12-(2,6,6-trimethylcyclohexen-1-yl)dodeca-5,7,9,11-tetraenamide;(2S,5E,7E,9E,11E)-2-[4-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]butyl]-N-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-6,10-dimethyl-4-oxo-12-(2,6,6-trimethylcyclohexen-1-yl)dodeca-5,7,9,11-tetraenamide

C133H214N4O24 — CID 159446076

About (2S,5E,7E,9E,11E)-2-[4-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]butyl]-6,10-dimethyl-4-oxo-N-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-12-(2,6,6-trimethylcyclohexen-1-yl)dodeca-5,7,9,11-tetraenamide;(2S,5E,7E,9E,11E)-2-[4-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]butyl]-N-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-6,10-dimethyl-4-oxo-12-(2,6,6-trimethylcyclohexen-1-yl)dodeca-5,7,9,11-tetraenamide

(2S,5E,7E,9E,11E)-2-[4-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]butyl]-6,10-dimethyl-4-oxo-N-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-12-(2,6,6-trimethylcyclohexen-1-yl)dodeca-5,7,9,11-tetraenamide;(2S,5E,7E,9E,11E)-2-[4-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]butyl]-N-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-6,10-dimethyl-4-oxo-12-(2,6,6-trimethylcyclohexen-1-yl)dodeca-5,7,9,11-tetraenamide (PubChem CID 159446076) has the molecular formula C133H214N4O24 and a molecular weight of 2253.18 g/mol. Its IUPAC name is (2S,5E,7E,9E,11E)-2-[4-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]butyl]-6,10-dimethyl-4-oxo-N-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-12-(2,6,6-trimethylcyclohexen-1-yl)dodeca-5,7,9,11-tetraenamide;(2S,5E,7E,9E,11E)-2-[4-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]butyl]-N-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-6,10-dimethyl-4-oxo-12-(2,6,6-trimethylcyclohexen-1-yl)dodeca-5,7,9,11-tetraenamide.

Molecular Properties

• Compound Name: (2S,5E,7E,9E,11E)-2-[4-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]butyl]-6,10-dimethyl-4-oxo-N-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-12-(2,6,6-trimethylcyclohexen-1-yl)dodeca-5,7,9,11-tetraenamide;(2S,5E,7E,9E,11E)-2-[4-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]butyl]-N-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-6,10-dimethyl-4-oxo-12-(2,6,6-trimethylcyclohexen-1-yl)dodeca-5,7,9,11-tetraenamide
• PubChem CID: 159446076
• Molecular Formula: C133H214N4O24
• Molecular Weight: 2253.18 g/mol
• Exact Mass: 2251.56
• IUPAC Name: (2S,5E,7E,9E,11E)-2-[4-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]butyl]-6,10-dimethyl-4-oxo-N-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-12-(2,6,6-trimethylcyclohexen-1-yl)dodeca-5,7,9,11-tetraenamide;(2S,5E,7E,9E,11E)-2-[4-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]butyl]-N-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-6,10-dimethyl-4-oxo-12-(2,6,6-trimethylcyclohexen-1-yl)dodeca-5,7,9,11-tetraenamide
• SMILES: CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)C[C@H](CCCCNC(=O)/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCO)C(C)(C)CCC1.CCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)[C@@H](CCCCNC(=O)/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C)CC(=O)/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C
• InChI: InChI=1S/C68H110N2O12.C65H104N2O12/c1-12-34-74-36-38-76-40-42-78-44-46-80-48-50-82-51-49-81-47-45-79-43-41-77-39-37-75-35-33-70-66(73)61(54-62(71)52-57(4)21-15-19-55(2)26-28-63-59(6)23-17-30-67(63,8)9)25-13-14-32-69-65(72)53-58(5)22-16-20-56(3)27-29-64-60(7)24-18-31-68(64,10)11;1-52(24-26-60-56(5)21-15-28-64(60,7)8)17-13-19-54(3)49-59(69)51-58(23-11-12-30-66-62(70)50-55(4)20-14-18-53(2)25-27-61-57(6)22-16-29-65(61,9)10)63(71)67-31-33-72-35-37-74-39-41-76-43-45-78-47-48-79-46-44-77-42-40-75-38-36-73-34-32-68/h15-16,19-22,26-29,52-53,61H,12-14,17-18,23-25,30-51,54H2,1-11H3,(H,69,72)(H,70,73);13-14,17-20,24-27,49-50,58,68H,11-12,15-16,21-23,28-48,51H2,1-10H3,(H,66,70)(H,67,71)/b21-15+,22-16+,28-26+,29-27+,55-19+,56-20+,57-52+,58-53+;19-13+,20-14+,26-24+,27-25+,52-17+,53-18+,54-49+,55-50+/t61-;58-/m00/s1
• InChIKey: LSTYNDUXTGJFDT-SZLDVADKSA-N
• XLogP: 23.74
• TPSA: 327.68 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 91
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2253.18
LogP ≤ 5	23.74
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	24

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 (2S,5E,7E,9E,11E)-2-[4-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]butyl]-6,10-dimethyl-4-oxo-N-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-12-(2,6,6-trimethylcyclohexen-1-yl)dodeca-5,7,9,11-tetraenamide;(2S,5E,7E,9E,11E)-2-[4-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]butyl]-N-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-6,10-dimethyl-4-oxo-12-(2,6,6-trimethylcyclohexen-1-yl)dodeca-5,7,9,11-tetraenamide?

The IUPAC name of (2S,5E,7E,9E,11E)-2-[4-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]butyl]-6,10-dimethyl-4-oxo-N-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-12-(2,6,6-trimethylcyclohexen-1-yl)dodeca-5,7,9,11-tetraenamide;(2S,5E,7E,9E,11E)-2-[4-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]butyl]-N-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-6,10-dimethyl-4-oxo-12-(2,6,6-trimethylcyclohexen-1-yl)dodeca-5,7,9,11-tetraenamide (CID 159446076) is (2S,5E,7E,9E,11E)-2-[4-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]butyl]-6,10-dimethyl-4-oxo-N-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-12-(2,6,6-trimethylcyclohexen-1-yl)dodeca-5,7,9,11-tetraenamide;(2S,5E,7E,9E,11E)-2-[4-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]butyl]-N-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-6,10-dimethyl-4-oxo-12-(2,6,6-trimethylcyclohexen-1-yl)dodeca-5,7,9,11-tetraenamide.

What is the SMILES notation for (2S,5E,7E,9E,11E)-2-[4-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]butyl]-6,10-dimethyl-4-oxo-N-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-12-(2,6,6-trimethylcyclohexen-1-yl)dodeca-5,7,9,11-tetraenamide;(2S,5E,7E,9E,11E)-2-[4-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]butyl]-N-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-6,10-dimethyl-4-oxo-12-(2,6,6-trimethylcyclohexen-1-yl)dodeca-5,7,9,11-tetraenamide?

The canonical SMILES for (2S,5E,7E,9E,11E)-2-[4-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]butyl]-6,10-dimethyl-4-oxo-N-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-12-(2,6,6-trimethylcyclohexen-1-yl)dodeca-5,7,9,11-tetraenamide;(2S,5E,7E,9E,11E)-2-[4-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]butyl]-N-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-6,10-dimethyl-4-oxo-12-(2,6,6-trimethylcyclohexen-1-yl)dodeca-5,7,9,11-tetraenamide is CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)C[C@H](CCCCNC(=O)/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCO)C(C)(C)CCC1.CCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)[C@@H](CCCCNC(=O)/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C)CC(=O)/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C.

What is the InChIKey of (2S,5E,7E,9E,11E)-2-[4-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]butyl]-6,10-dimethyl-4-oxo-N-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-12-(2,6,6-trimethylcyclohexen-1-yl)dodeca-5,7,9,11-tetraenamide;(2S,5E,7E,9E,11E)-2-[4-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]butyl]-N-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-6,10-dimethyl-4-oxo-12-(2,6,6-trimethylcyclohexen-1-yl)dodeca-5,7,9,11-tetraenamide?

The InChIKey is LSTYNDUXTGJFDT-SZLDVADKSA-N. The full InChI is InChI=1S/C68H110N2O12.C65H104N2O12/c1-12-34-74-36-38-76-40-42-78-44-46-80-48-50-82-51-49-81-47-45-79-43-41-77-39-37-75-35-33-70-66(73)61(54-62(71)52-57(4)21-15-19-55(2)26-28-63-59(6)23-17-30-67(63,8)9)25-13-14-32-69-65(72)53-58(5)22-16-20-56(3)27-29-64-60(7)24-18-31-68(64,10)11;1-52(24-26-60-56(5)21-15-28-64(60,7)8)17-13-19-54(3)49-59(69)51-58(23-11-12-30-66-62(70)50-55(4)20-14-18-53(2)25-27-61-57(6)22-16-29-65(61,9)10)63(71)67-31-33-72-35-37-74-39-41-76-43-45-78-47-48-79-46-44-77-42-40-75-38-36-73-34-32-68/h15-16,19-22,26-29,52-53,61H,12-14,17-18,23-25,30-51,54H2,1-11H3,(H,69,72)(H,70,73);13-14,17-20,24-27,49-50,58,68H,11-12,15-16,21-23,28-48,51H2,1-10H3,(H,66,70)(H,67,71)/b21-15+,22-16+,28-26+,29-27+,55-19+,56-20+,57-52+,58-53+;19-13+,20-14+,26-24+,27-25+,52-17+,53-18+,54-49+,55-50+/t61-;58-/m00/s1.

What are the key properties of (2S,5E,7E,9E,11E)-2-[4-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]butyl]-6,10-dimethyl-4-oxo-N-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-12-(2,6,6-trimethylcyclohexen-1-yl)dodeca-5,7,9,11-tetraenamide;(2S,5E,7E,9E,11E)-2-[4-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]butyl]-N-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-6,10-dimethyl-4-oxo-12-(2,6,6-trimethylcyclohexen-1-yl)dodeca-5,7,9,11-tetraenamide?

(2S,5E,7E,9E,11E)-2-[4-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]butyl]-6,10-dimethyl-4-oxo-N-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-12-(2,6,6-trimethylcyclohexen-1-yl)dodeca-5,7,9,11-tetraenamide;(2S,5E,7E,9E,11E)-2-[4-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]butyl]-N-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-6,10-dimethyl-4-oxo-12-(2,6,6-trimethylcyclohexen-1-yl)dodeca-5,7,9,11-tetraenamide has a molecular weight of 2253.18 g/mol, XLogP of 23.74, 91 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,5E,7E,9E,11E)-2-[4-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]butyl]-6,10-dimethyl-4-oxo-N-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-12-(2,6,6-trimethylcyclohexen-1-yl)dodeca-5,7,9,11-tetraenamide;(2S,5E,7E,9E,11E)-2-[4-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]butyl]-N-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-6,10-dimethyl-4-oxo-12-(2,6,6-trimethylcyclohexen-1-yl)dodeca-5,7,9,11-tetraenamide is sourced from PubChem (CID 159446076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).