(4E,7E,10E,13E,16E,19E)-N-[(3-oxo-1,2-oxazolidin-5-yl)methyl]docosa-4,7,10,13,16,19-hexaenamide

C26H38N2O3 — CID 66691160

IUPAC(4E,7E,10E,13E,16E,19E)-N-[(3-oxo-1,2-oxazolidin-5-yl)methyl]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)NCC1CC(=O)NO1
InChIInChI=1S/C26H38N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(29)27-23-24-22-26(30)28-31-24/h3-4,6-7,9-10,12-13,15-16,18-19,24H,2,5,8,11,14,17,20-23H2,1H3,(H,27,29)(H,28,30)/b4-3+,7-6+,10-9+,13-12+,16-15+,19-18+
InChIKeyKVNUNJQRRZBUCN-SFGLVEFQSA-N
MW426.60 g/mol
LogP5.40
Rot. Bonds16

About (4E,7E,10E,13E,16E,19E)-N-[(3-oxo-1,2-oxazolidin-5-yl)methyl]docosa-4,7,10,13,16,19-hexaenamide

(4E,7E,10E,13E,16E,19E)-N-[(3-oxo-1,2-oxazolidin-5-yl)methyl]docosa-4,7,10,13,16,19-hexaenamide (PubChem CID 66691160) has the molecular formula C26H38N2O3 and a molecular weight of 426.60 g/mol. Its IUPAC name is (4E,7E,10E,13E,16E,19E)-N-[(3-oxo-1,2-oxazolidin-5-yl)methyl]docosa-4,7,10,13,16,19-hexaenamide.

Molecular Properties

Compound Name(4E,7E,10E,13E,16E,19E)-N-[(3-oxo-1,2-oxazolidin-5-yl)methyl]docosa-4,7,10,13,16,19-hexaenamide
PubChem CID66691160
Molecular FormulaC26H38N2O3
Molecular Weight426.60 g/mol
Exact Mass426.29
IUPAC Name(4E,7E,10E,13E,16E,19E)-N-[(3-oxo-1,2-oxazolidin-5-yl)methyl]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)NCC1CC(=O)NO1
InChIInChI=1S/C26H38N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(29)27-23-24-22-26(30)28-31-24/h3-4,6-7,9-10,12-13,15-16,18-19,24H,2,5,8,11,14,17,20-23H2,1H3,(H,27,29)(H,28,30)/b4-3+,7-6+,10-9+,13-12+,16-15+,19-18+
InChIKeyKVNUNJQRRZBUCN-SFGLVEFQSA-N
XLogP5.40
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.60
LogP ≤ 55.40
H-Bond Donors ≤ 52
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 (4E,7E,10E,13E,16E,19E)-N-[(3-oxo-1,2-oxazolidin-5-yl)methyl]docosa-4,7,10,13,16,19-hexaenamide?
The IUPAC name of (4E,7E,10E,13E,16E,19E)-N-[(3-oxo-1,2-oxazolidin-5-yl)methyl]docosa-4,7,10,13,16,19-hexaenamide (CID 66691160) is (4E,7E,10E,13E,16E,19E)-N-[(3-oxo-1,2-oxazolidin-5-yl)methyl]docosa-4,7,10,13,16,19-hexaenamide.
What is the SMILES notation for (4E,7E,10E,13E,16E,19E)-N-[(3-oxo-1,2-oxazolidin-5-yl)methyl]docosa-4,7,10,13,16,19-hexaenamide?
The canonical SMILES for (4E,7E,10E,13E,16E,19E)-N-[(3-oxo-1,2-oxazolidin-5-yl)methyl]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)NCC1CC(=O)NO1.
What is the InChIKey of (4E,7E,10E,13E,16E,19E)-N-[(3-oxo-1,2-oxazolidin-5-yl)methyl]docosa-4,7,10,13,16,19-hexaenamide?
The InChIKey is KVNUNJQRRZBUCN-SFGLVEFQSA-N. The full InChI is InChI=1S/C26H38N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(29)27-23-24-22-26(30)28-31-24/h3-4,6-7,9-10,12-13,15-16,18-19,24H,2,5,8,11,14,17,20-23H2,1H3,(H,27,29)(H,28,30)/b4-3+,7-6+,10-9+,13-12+,16-15+,19-18+.
What are the key properties of (4E,7E,10E,13E,16E,19E)-N-[(3-oxo-1,2-oxazolidin-5-yl)methyl]docosa-4,7,10,13,16,19-hexaenamide?
(4E,7E,10E,13E,16E,19E)-N-[(3-oxo-1,2-oxazolidin-5-yl)methyl]docosa-4,7,10,13,16,19-hexaenamide has a molecular weight of 426.60 g/mol, XLogP of 5.40, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,7E,10E,13E,16E,19E)-N-[(3-oxo-1,2-oxazolidin-5-yl)methyl]docosa-4,7,10,13,16,19-hexaenamide is sourced from PubChem (CID 66691160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).