(4Z,7Z,10Z,13Z,16Z,19Z)-1-morpholin-4-yldocosa-4,7,10,13,16,19-hexaen-1-one

C26H39NO2 — CID 90071172

IUPAC(4Z,7Z,10Z,13Z,16Z,19Z)-1-morpholin-4-yldocosa-4,7,10,13,16,19-hexaen-1-one
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)N1CCOCC1
InChIInChI=1S/C26H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26(28)27-22-24-29-25-23-27/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-25H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-
InChIKeyFIZCRZWPIOKTER-KUBAVDMBSA-N
MW397.60 g/mol
LogP6.32
Rot. Bonds14

About (4Z,7Z,10Z,13Z,16Z,19Z)-1-morpholin-4-yldocosa-4,7,10,13,16,19-hexaen-1-one

(4Z,7Z,10Z,13Z,16Z,19Z)-1-morpholin-4-yldocosa-4,7,10,13,16,19-hexaen-1-one (PubChem CID 90071172) has the molecular formula C26H39NO2 and a molecular weight of 397.60 g/mol. Its IUPAC name is (4Z,7Z,10Z,13Z,16Z,19Z)-1-morpholin-4-yldocosa-4,7,10,13,16,19-hexaen-1-one.

Molecular Properties

Compound Name(4Z,7Z,10Z,13Z,16Z,19Z)-1-morpholin-4-yldocosa-4,7,10,13,16,19-hexaen-1-one
PubChem CID90071172
Molecular FormulaC26H39NO2
Molecular Weight397.60 g/mol
Exact Mass397.30
IUPAC Name(4Z,7Z,10Z,13Z,16Z,19Z)-1-morpholin-4-yldocosa-4,7,10,13,16,19-hexaen-1-one
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)N1CCOCC1
InChIInChI=1S/C26H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26(28)27-22-24-29-25-23-27/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-25H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-
InChIKeyFIZCRZWPIOKTER-KUBAVDMBSA-N
XLogP6.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.60
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4Z,7Z,10Z,13Z,16Z,19Z)-1-morpholin-4-yldocosa-4,7,10,13,16,19-hexaen-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4Z,7Z,10Z,13Z,16Z,19Z)-1-morpholin-4-yldocosa-4,7,10,13,16,19-hexaen-1-one?
The IUPAC name of (4Z,7Z,10Z,13Z,16Z,19Z)-1-morpholin-4-yldocosa-4,7,10,13,16,19-hexaen-1-one (CID 90071172) is (4Z,7Z,10Z,13Z,16Z,19Z)-1-morpholin-4-yldocosa-4,7,10,13,16,19-hexaen-1-one.
What is the SMILES notation for (4Z,7Z,10Z,13Z,16Z,19Z)-1-morpholin-4-yldocosa-4,7,10,13,16,19-hexaen-1-one?
The canonical SMILES for (4Z,7Z,10Z,13Z,16Z,19Z)-1-morpholin-4-yldocosa-4,7,10,13,16,19-hexaen-1-one is CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)N1CCOCC1.
What is the InChIKey of (4Z,7Z,10Z,13Z,16Z,19Z)-1-morpholin-4-yldocosa-4,7,10,13,16,19-hexaen-1-one?
The InChIKey is FIZCRZWPIOKTER-KUBAVDMBSA-N. The full InChI is InChI=1S/C26H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26(28)27-22-24-29-25-23-27/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-25H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-.
What are the key properties of (4Z,7Z,10Z,13Z,16Z,19Z)-1-morpholin-4-yldocosa-4,7,10,13,16,19-hexaen-1-one?
(4Z,7Z,10Z,13Z,16Z,19Z)-1-morpholin-4-yldocosa-4,7,10,13,16,19-hexaen-1-one has a molecular weight of 397.60 g/mol, XLogP of 6.32, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,7Z,10Z,13Z,16Z,19Z)-1-morpholin-4-yldocosa-4,7,10,13,16,19-hexaen-1-one is sourced from PubChem (CID 90071172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).