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

C27H43NO3 — CID 71510532

IUPAC(4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-(2-methoxyethoxy)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)NCCOCCOC
InChIInChI=1S/C27H43NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27(29)28-23-24-31-26-25-30-2/h4-5,7-8,10-11,13-14,16-17,19-20H,3,6,9,12,15,18,21-26H2,1-2H3,(H,28,29)/b5-4-,8-7-,11-10-,14-13-,17-16-,20-19-
InChIKeyHZVWDFOOVLLBRW-JDPCYWKWSA-N
MW429.65 g/mol
LogP6.24
Rot. Bonds20

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

(4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-(2-methoxyethoxy)ethyl]docosa-4,7,10,13,16,19-hexaenamide (PubChem CID 71510532) has the molecular formula C27H43NO3 and a molecular weight of 429.65 g/mol. Its IUPAC name is (4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-(2-methoxyethoxy)ethyl]docosa-4,7,10,13,16,19-hexaenamide.

Molecular Properties

Compound Name(4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-(2-methoxyethoxy)ethyl]docosa-4,7,10,13,16,19-hexaenamide
PubChem CID71510532
Molecular FormulaC27H43NO3
Molecular Weight429.65 g/mol
Exact Mass429.32
IUPAC Name(4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-(2-methoxyethoxy)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)NCCOCCOC
InChIInChI=1S/C27H43NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27(29)28-23-24-31-26-25-30-2/h4-5,7-8,10-11,13-14,16-17,19-20H,3,6,9,12,15,18,21-26H2,1-2H3,(H,28,29)/b5-4-,8-7-,11-10-,14-13-,17-16-,20-19-
InChIKeyHZVWDFOOVLLBRW-JDPCYWKWSA-N
XLogP6.24
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.65
LogP ≤ 56.24
H-Bond Donors ≤ 51
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-methoxyethoxy)ethyl]docosa-4,7,10,13,16,19-hexaenamide?
The IUPAC name of (4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-(2-methoxyethoxy)ethyl]docosa-4,7,10,13,16,19-hexaenamide (CID 71510532) is (4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-(2-methoxyethoxy)ethyl]docosa-4,7,10,13,16,19-hexaenamide.
What is the SMILES notation for (4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-(2-methoxyethoxy)ethyl]docosa-4,7,10,13,16,19-hexaenamide?
The canonical SMILES for (4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-(2-methoxyethoxy)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)NCCOCCOC.
What is the InChIKey of (4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-(2-methoxyethoxy)ethyl]docosa-4,7,10,13,16,19-hexaenamide?
The InChIKey is HZVWDFOOVLLBRW-JDPCYWKWSA-N. The full InChI is InChI=1S/C27H43NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27(29)28-23-24-31-26-25-30-2/h4-5,7-8,10-11,13-14,16-17,19-20H,3,6,9,12,15,18,21-26H2,1-2H3,(H,28,29)/b5-4-,8-7-,11-10-,14-13-,17-16-,20-19-.
What are the key properties of (4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-(2-methoxyethoxy)ethyl]docosa-4,7,10,13,16,19-hexaenamide?
(4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-(2-methoxyethoxy)ethyl]docosa-4,7,10,13,16,19-hexaenamide has a molecular weight of 429.65 g/mol, XLogP of 6.24, 20 rotatable bonds, 1 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-methoxyethoxy)ethyl]docosa-4,7,10,13,16,19-hexaenamide is sourced from PubChem (CID 71510532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).