2-[[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]acetyl]-[2-[2-[2-[2-[2-[[5-[(E)-2-[4-(methylamino)phenyl]ethenyl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-N-[2-[2-[2-[2-[[5-[(E)-2-[4-(methylamino)phenyl]ethenyl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide

C56H78FN7O14 — CID 56851172

IUPAC2-[[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]acetyl]-[2-[2-[2-[2-[2-[[5-[(E)-2-[4-(methylamino)phenyl]ethenyl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-N-[2-[2-[2-[2-[[5-[(E)-2-[4-(methylamino)phenyl]ethenyl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide
SMILESCNc1ccc(/C=C/c2ccc(OCCOCCOCCOCCNC(=O)CN(CC(=O)NCCOCCOCCOCCOc3ccc(/C=C/c4ccc(NC)cc4)cn3)C(=O)COCCOCCOCCF)nc2)cc1
InChIInChI=1S/C56H78FN7O14/c1-58-50-13-7-46(8-14-50)3-5-48-11-17-54(62-41-48)77-39-37-74-33-31-71-29-26-69-23-20-60-52(65)43-64(56(67)45-76-36-35-73-28-25-68-22-19-57)44-53(66)61-21-24-70-27-30-72-32-34-75-38-40-78-55-18-12-49(42-63-55)6-4-47-9-15-51(59-2)16-10-47/h3-18,41-42,58-59H,19-40,43-45H2,1-2H3,(H,60,65)(H,61,66)/b5-3+,6-4+
InChIKeyYQRMVEKWQTWJIM-GGWOSOGESA-N
MW1092.27 g/mol
LogP4.54
Rot. Bonds46

About 2-[[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]acetyl]-[2-[2-[2-[2-[2-[[5-[(E)-2-[4-(methylamino)phenyl]ethenyl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-N-[2-[2-[2-[2-[[5-[(E)-2-[4-(methylamino)phenyl]ethenyl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide

2-[[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]acetyl]-[2-[2-[2-[2-[2-[[5-[(E)-2-[4-(methylamino)phenyl]ethenyl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-N-[2-[2-[2-[2-[[5-[(E)-2-[4-(methylamino)phenyl]ethenyl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide (PubChem CID 56851172) has the molecular formula C56H78FN7O14 and a molecular weight of 1092.27 g/mol. Its IUPAC name is 2-[[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]acetyl]-[2-[2-[2-[2-[2-[[5-[(E)-2-[4-(methylamino)phenyl]ethenyl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-N-[2-[2-[2-[2-[[5-[(E)-2-[4-(methylamino)phenyl]ethenyl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide.

Molecular Properties

Compound Name2-[[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]acetyl]-[2-[2-[2-[2-[2-[[5-[(E)-2-[4-(methylamino)phenyl]ethenyl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-N-[2-[2-[2-[2-[[5-[(E)-2-[4-(methylamino)phenyl]ethenyl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide
PubChem CID56851172
Molecular FormulaC56H78FN7O14
Molecular Weight1092.27 g/mol
Exact Mass1091.56
IUPAC Name2-[[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]acetyl]-[2-[2-[2-[2-[2-[[5-[(E)-2-[4-(methylamino)phenyl]ethenyl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-N-[2-[2-[2-[2-[[5-[(E)-2-[4-(methylamino)phenyl]ethenyl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide
SMILESCNc1ccc(/C=C/c2ccc(OCCOCCOCCOCCNC(=O)CN(CC(=O)NCCOCCOCCOCCOc3ccc(/C=C/c4ccc(NC)cc4)cn3)C(=O)COCCOCCOCCF)nc2)cc1
InChIInChI=1S/C56H78FN7O14/c1-58-50-13-7-46(8-14-50)3-5-48-11-17-54(62-41-48)77-39-37-74-33-31-71-29-26-69-23-20-60-52(65)43-64(56(67)45-76-36-35-73-28-25-68-22-19-57)44-53(66)61-21-24-70-27-30-72-32-34-75-38-40-78-55-18-12-49(42-63-55)6-4-47-9-15-51(59-2)16-10-47/h3-18,41-42,58-59H,19-40,43-45H2,1-2H3,(H,60,65)(H,61,66)/b5-3+,6-4+
InChIKeyYQRMVEKWQTWJIM-GGWOSOGESA-N
XLogP4.54
TPSA229.88 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds46
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001092.27
LogP ≤ 54.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 2-[[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]acetyl]-[2-[2-[2-[2-[2-[[5-[(E)-2-[4-(methylamino)phenyl]ethenyl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-N-[2-[2-[2-[2-[[5-[(E)-2-[4-(methylamino)phenyl]ethenyl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]acetyl]-[2-[2-[2-[2-[2-[[5-[(E)-2-[4-(methylamino)phenyl]ethenyl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-N-[2-[2-[2-[2-[[5-[(E)-2-[4-(methylamino)phenyl]ethenyl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide?
The IUPAC name of 2-[[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]acetyl]-[2-[2-[2-[2-[2-[[5-[(E)-2-[4-(methylamino)phenyl]ethenyl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-N-[2-[2-[2-[2-[[5-[(E)-2-[4-(methylamino)phenyl]ethenyl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide (CID 56851172) is 2-[[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]acetyl]-[2-[2-[2-[2-[2-[[5-[(E)-2-[4-(methylamino)phenyl]ethenyl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-N-[2-[2-[2-[2-[[5-[(E)-2-[4-(methylamino)phenyl]ethenyl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide.
What is the SMILES notation for 2-[[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]acetyl]-[2-[2-[2-[2-[2-[[5-[(E)-2-[4-(methylamino)phenyl]ethenyl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-N-[2-[2-[2-[2-[[5-[(E)-2-[4-(methylamino)phenyl]ethenyl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide?
The canonical SMILES for 2-[[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]acetyl]-[2-[2-[2-[2-[2-[[5-[(E)-2-[4-(methylamino)phenyl]ethenyl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-N-[2-[2-[2-[2-[[5-[(E)-2-[4-(methylamino)phenyl]ethenyl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide is CNc1ccc(/C=C/c2ccc(OCCOCCOCCOCCNC(=O)CN(CC(=O)NCCOCCOCCOCCOc3ccc(/C=C/c4ccc(NC)cc4)cn3)C(=O)COCCOCCOCCF)nc2)cc1.
What is the InChIKey of 2-[[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]acetyl]-[2-[2-[2-[2-[2-[[5-[(E)-2-[4-(methylamino)phenyl]ethenyl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-N-[2-[2-[2-[2-[[5-[(E)-2-[4-(methylamino)phenyl]ethenyl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide?
The InChIKey is YQRMVEKWQTWJIM-GGWOSOGESA-N. The full InChI is InChI=1S/C56H78FN7O14/c1-58-50-13-7-46(8-14-50)3-5-48-11-17-54(62-41-48)77-39-37-74-33-31-71-29-26-69-23-20-60-52(65)43-64(56(67)45-76-36-35-73-28-25-68-22-19-57)44-53(66)61-21-24-70-27-30-72-32-34-75-38-40-78-55-18-12-49(42-63-55)6-4-47-9-15-51(59-2)16-10-47/h3-18,41-42,58-59H,19-40,43-45H2,1-2H3,(H,60,65)(H,61,66)/b5-3+,6-4+.
What are the key properties of 2-[[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]acetyl]-[2-[2-[2-[2-[2-[[5-[(E)-2-[4-(methylamino)phenyl]ethenyl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-N-[2-[2-[2-[2-[[5-[(E)-2-[4-(methylamino)phenyl]ethenyl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide?
2-[[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]acetyl]-[2-[2-[2-[2-[2-[[5-[(E)-2-[4-(methylamino)phenyl]ethenyl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-N-[2-[2-[2-[2-[[5-[(E)-2-[4-(methylamino)phenyl]ethenyl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide has a molecular weight of 1092.27 g/mol, XLogP of 4.54, 46 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]acetyl]-[2-[2-[2-[2-[2-[[5-[(E)-2-[4-(methylamino)phenyl]ethenyl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-N-[2-[2-[2-[2-[[5-[(E)-2-[4-(methylamino)phenyl]ethenyl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide is sourced from PubChem (CID 56851172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).