(4Z,7Z,10Z,13Z,16Z,19Z)-N-[3-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]-2-morpholin-4-ylpropyl]docosa-4,7,10,13,16,19-hexaenamide

C49H75N3O3 — CID 140612572

IUPAC(4Z,7Z,10Z,13Z,16Z,19Z)-N-[3-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]-2-morpholin-4-ylpropyl]docosa-4,7,10,13,16,19-hexaenamide
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)NCC(CNC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)N1CCOCC1
InChIInChI=1S/C49H75N3O3/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-49(54)51-46-47(52-41-43-55-44-42-52)45-50-48(53)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,22,24-25,27-28,30-31,33-34,36,47H,3-4,9-10,15-16,21,23,26,29,32,35,37-46H2,1-2H3,(H,50,53)(H,51,54)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,24-22-,27-25-,30-28-,33-31-,36-34-
InChIKeyOHDDPPMSJXJBOZ-UYABLQOYSA-N
MW754.16 g/mol
LogP11.32
Rot. Bonds32

About (4Z,7Z,10Z,13Z,16Z,19Z)-N-[3-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]-2-morpholin-4-ylpropyl]docosa-4,7,10,13,16,19-hexaenamide

(4Z,7Z,10Z,13Z,16Z,19Z)-N-[3-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]-2-morpholin-4-ylpropyl]docosa-4,7,10,13,16,19-hexaenamide (PubChem CID 140612572) has the molecular formula C49H75N3O3 and a molecular weight of 754.16 g/mol. Its IUPAC name is (4Z,7Z,10Z,13Z,16Z,19Z)-N-[3-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]-2-morpholin-4-ylpropyl]docosa-4,7,10,13,16,19-hexaenamide.

Molecular Properties

Compound Name(4Z,7Z,10Z,13Z,16Z,19Z)-N-[3-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]-2-morpholin-4-ylpropyl]docosa-4,7,10,13,16,19-hexaenamide
PubChem CID140612572
Molecular FormulaC49H75N3O3
Molecular Weight754.16 g/mol
Exact Mass753.58
IUPAC Name(4Z,7Z,10Z,13Z,16Z,19Z)-N-[3-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]-2-morpholin-4-ylpropyl]docosa-4,7,10,13,16,19-hexaenamide
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)NCC(CNC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)N1CCOCC1
InChIInChI=1S/C49H75N3O3/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-49(54)51-46-47(52-41-43-55-44-42-52)45-50-48(53)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,22,24-25,27-28,30-31,33-34,36,47H,3-4,9-10,15-16,21,23,26,29,32,35,37-46H2,1-2H3,(H,50,53)(H,51,54)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,24-22-,27-25-,30-28-,33-31-,36-34-
InChIKeyOHDDPPMSJXJBOZ-UYABLQOYSA-N
XLogP11.32
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds32
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.16
LogP ≤ 511.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4Z,7Z,10Z,13Z,16Z,19Z)-N-[3-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]-2-morpholin-4-ylpropyl]docosa-4,7,10,13,16,19-hexaenamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4Z,7Z,10Z,13Z,16Z,19Z)-N-[3-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]-2-morpholin-4-ylpropyl]docosa-4,7,10,13,16,19-hexaenamide?
The IUPAC name of (4Z,7Z,10Z,13Z,16Z,19Z)-N-[3-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]-2-morpholin-4-ylpropyl]docosa-4,7,10,13,16,19-hexaenamide (CID 140612572) is (4Z,7Z,10Z,13Z,16Z,19Z)-N-[3-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]-2-morpholin-4-ylpropyl]docosa-4,7,10,13,16,19-hexaenamide.
What is the SMILES notation for (4Z,7Z,10Z,13Z,16Z,19Z)-N-[3-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]-2-morpholin-4-ylpropyl]docosa-4,7,10,13,16,19-hexaenamide?
The canonical SMILES for (4Z,7Z,10Z,13Z,16Z,19Z)-N-[3-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]-2-morpholin-4-ylpropyl]docosa-4,7,10,13,16,19-hexaenamide is CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)NCC(CNC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)N1CCOCC1.
What is the InChIKey of (4Z,7Z,10Z,13Z,16Z,19Z)-N-[3-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]-2-morpholin-4-ylpropyl]docosa-4,7,10,13,16,19-hexaenamide?
The InChIKey is OHDDPPMSJXJBOZ-UYABLQOYSA-N. The full InChI is InChI=1S/C49H75N3O3/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-49(54)51-46-47(52-41-43-55-44-42-52)45-50-48(53)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,22,24-25,27-28,30-31,33-34,36,47H,3-4,9-10,15-16,21,23,26,29,32,35,37-46H2,1-2H3,(H,50,53)(H,51,54)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,24-22-,27-25-,30-28-,33-31-,36-34-.
What are the key properties of (4Z,7Z,10Z,13Z,16Z,19Z)-N-[3-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]-2-morpholin-4-ylpropyl]docosa-4,7,10,13,16,19-hexaenamide?
(4Z,7Z,10Z,13Z,16Z,19Z)-N-[3-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]-2-morpholin-4-ylpropyl]docosa-4,7,10,13,16,19-hexaenamide has a molecular weight of 754.16 g/mol, XLogP of 11.32, 32 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,7Z,10Z,13Z,16Z,19Z)-N-[3-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]-2-morpholin-4-ylpropyl]docosa-4,7,10,13,16,19-hexaenamide is sourced from PubChem (CID 140612572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).