(4Z,7Z,10Z,13Z,16Z,19Z)-N-(1,3-dihydroxypropan-2-yl)docosa-4,7,10,13,16,19-hexaenamide

C25H39NO3 — CID 118722771

IUPAC(4Z,7Z,10Z,13Z,16Z,19Z)-N-(1,3-dihydroxypropan-2-yl)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)NC(CO)CO
InChIInChI=1S/C25H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(29)26-24(22-27)23-28/h3-4,6-7,9-10,12-13,15-16,18-19,24,27-28H,2,5,8,11,14,17,20-23H2,1H3,(H,26,29)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-
InChIKeyWLQISWHMHISXMV-KUBAVDMBSA-N
MW401.59 g/mol
LogP4.93
Rot. Bonds17

About (4Z,7Z,10Z,13Z,16Z,19Z)-N-(1,3-dihydroxypropan-2-yl)docosa-4,7,10,13,16,19-hexaenamide

(4Z,7Z,10Z,13Z,16Z,19Z)-N-(1,3-dihydroxypropan-2-yl)docosa-4,7,10,13,16,19-hexaenamide (PubChem CID 118722771) has the molecular formula C25H39NO3 and a molecular weight of 401.59 g/mol. Its IUPAC name is (4Z,7Z,10Z,13Z,16Z,19Z)-N-(1,3-dihydroxypropan-2-yl)docosa-4,7,10,13,16,19-hexaenamide.

Molecular Properties

Compound Name(4Z,7Z,10Z,13Z,16Z,19Z)-N-(1,3-dihydroxypropan-2-yl)docosa-4,7,10,13,16,19-hexaenamide
PubChem CID118722771
Molecular FormulaC25H39NO3
Molecular Weight401.59 g/mol
Exact Mass401.29
IUPAC Name(4Z,7Z,10Z,13Z,16Z,19Z)-N-(1,3-dihydroxypropan-2-yl)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)NC(CO)CO
InChIInChI=1S/C25H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(29)26-24(22-27)23-28/h3-4,6-7,9-10,12-13,15-16,18-19,24,27-28H,2,5,8,11,14,17,20-23H2,1H3,(H,26,29)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-
InChIKeyWLQISWHMHISXMV-KUBAVDMBSA-N
XLogP4.93
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.59
LogP ≤ 54.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z,7Z,10Z,13Z,16Z,19Z)-N-(1,3-dihydroxypropan-2-yl)docosa-4,7,10,13,16,19-hexaenamide?
The IUPAC name of (4Z,7Z,10Z,13Z,16Z,19Z)-N-(1,3-dihydroxypropan-2-yl)docosa-4,7,10,13,16,19-hexaenamide (CID 118722771) is (4Z,7Z,10Z,13Z,16Z,19Z)-N-(1,3-dihydroxypropan-2-yl)docosa-4,7,10,13,16,19-hexaenamide.
What is the SMILES notation for (4Z,7Z,10Z,13Z,16Z,19Z)-N-(1,3-dihydroxypropan-2-yl)docosa-4,7,10,13,16,19-hexaenamide?
The canonical SMILES for (4Z,7Z,10Z,13Z,16Z,19Z)-N-(1,3-dihydroxypropan-2-yl)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)NC(CO)CO.
What is the InChIKey of (4Z,7Z,10Z,13Z,16Z,19Z)-N-(1,3-dihydroxypropan-2-yl)docosa-4,7,10,13,16,19-hexaenamide?
The InChIKey is WLQISWHMHISXMV-KUBAVDMBSA-N. The full InChI is InChI=1S/C25H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(29)26-24(22-27)23-28/h3-4,6-7,9-10,12-13,15-16,18-19,24,27-28H,2,5,8,11,14,17,20-23H2,1H3,(H,26,29)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-.
What are the key properties of (4Z,7Z,10Z,13Z,16Z,19Z)-N-(1,3-dihydroxypropan-2-yl)docosa-4,7,10,13,16,19-hexaenamide?
(4Z,7Z,10Z,13Z,16Z,19Z)-N-(1,3-dihydroxypropan-2-yl)docosa-4,7,10,13,16,19-hexaenamide has a molecular weight of 401.59 g/mol, XLogP of 4.93, 17 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,7Z,10Z,13Z,16Z,19Z)-N-(1,3-dihydroxypropan-2-yl)docosa-4,7,10,13,16,19-hexaenamide is sourced from PubChem (CID 118722771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).