(4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-(2-aminoethoxy)ethyl]docosa-4,7,10,13,16,19-hexaenamide

C26H42N2O2 — CID 86696164

IUPAC(4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-(2-aminoethoxy)ethyl]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)NCCOCCN
InChIInChI=1S/C26H42N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26(29)28-23-25-30-24-22-27/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-25,27H2,1H3,(H,28,29)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-
InChIKeyUVOKKJXIZGDXJW-KUBAVDMBSA-N
MW414.63 g/mol
LogP5.56
Rot. Bonds19

About (4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-(2-aminoethoxy)ethyl]docosa-4,7,10,13,16,19-hexaenamide

(4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-(2-aminoethoxy)ethyl]docosa-4,7,10,13,16,19-hexaenamide (PubChem CID 86696164) has the molecular formula C26H42N2O2 and a molecular weight of 414.63 g/mol. Its IUPAC name is (4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-(2-aminoethoxy)ethyl]docosa-4,7,10,13,16,19-hexaenamide.

Molecular Properties

Compound Name(4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-(2-aminoethoxy)ethyl]docosa-4,7,10,13,16,19-hexaenamide
PubChem CID86696164
Molecular FormulaC26H42N2O2
Molecular Weight414.63 g/mol
Exact Mass414.32
IUPAC Name(4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-(2-aminoethoxy)ethyl]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)NCCOCCN
InChIInChI=1S/C26H42N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26(29)28-23-25-30-24-22-27/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-25,27H2,1H3,(H,28,29)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-
InChIKeyUVOKKJXIZGDXJW-KUBAVDMBSA-N
XLogP5.56
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.63
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[2-(2-aminoethoxy)ethyl]docosa-4,7,10,13,16,19-hexaenamide?
The IUPAC name of (4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-(2-aminoethoxy)ethyl]docosa-4,7,10,13,16,19-hexaenamide (CID 86696164) is (4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-(2-aminoethoxy)ethyl]docosa-4,7,10,13,16,19-hexaenamide.
What is the SMILES notation for (4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-(2-aminoethoxy)ethyl]docosa-4,7,10,13,16,19-hexaenamide?
The canonical SMILES for (4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-(2-aminoethoxy)ethyl]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)NCCOCCN.
What is the InChIKey of (4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-(2-aminoethoxy)ethyl]docosa-4,7,10,13,16,19-hexaenamide?
The InChIKey is UVOKKJXIZGDXJW-KUBAVDMBSA-N. The full InChI is InChI=1S/C26H42N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26(29)28-23-25-30-24-22-27/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-25,27H2,1H3,(H,28,29)/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-[2-(2-aminoethoxy)ethyl]docosa-4,7,10,13,16,19-hexaenamide?
(4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-(2-aminoethoxy)ethyl]docosa-4,7,10,13,16,19-hexaenamide has a molecular weight of 414.63 g/mol, XLogP of 5.56, 19 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-(2-aminoethoxy)ethyl]docosa-4,7,10,13,16,19-hexaenamide is sourced from PubChem (CID 86696164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).