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

C27H43NO3 — CID 78092290

IUPACN-[2-(2-methoxyethoxy)ethyl]docosa-4,7,10,13,16,19-hexaenamide
SMILESCCC=CCC=CCC=CCC=CCC=CCC=CCCC(=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)
InChIKeyHZVWDFOOVLLBRW-UHFFFAOYSA-N
MW429.65 g/mol
LogP6.24
Rot. Bonds20

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

N-[2-(2-methoxyethoxy)ethyl]docosa-4,7,10,13,16,19-hexaenamide (PubChem CID 78092290) has the molecular formula C27H43NO3 and a molecular weight of 429.65 g/mol. Its IUPAC name is N-[2-(2-methoxyethoxy)ethyl]docosa-4,7,10,13,16,19-hexaenamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethoxy)ethyl]docosa-4,7,10,13,16,19-hexaenamide
PubChem CID78092290
Molecular FormulaC27H43NO3
Molecular Weight429.65 g/mol
Exact Mass429.32
IUPAC NameN-[2-(2-methoxyethoxy)ethyl]docosa-4,7,10,13,16,19-hexaenamide
SMILESCCC=CCC=CCC=CCC=CCC=CCC=CCCC(=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)
InChIKeyHZVWDFOOVLLBRW-UHFFFAOYSA-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 N-[2-(2-methoxyethoxy)ethyl]docosa-4,7,10,13,16,19-hexaenamide?
The IUPAC name of N-[2-(2-methoxyethoxy)ethyl]docosa-4,7,10,13,16,19-hexaenamide (CID 78092290) is N-[2-(2-methoxyethoxy)ethyl]docosa-4,7,10,13,16,19-hexaenamide.
What is the SMILES notation for N-[2-(2-methoxyethoxy)ethyl]docosa-4,7,10,13,16,19-hexaenamide?
The canonical SMILES for N-[2-(2-methoxyethoxy)ethyl]docosa-4,7,10,13,16,19-hexaenamide is CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)NCCOCCOC.
What is the InChIKey of N-[2-(2-methoxyethoxy)ethyl]docosa-4,7,10,13,16,19-hexaenamide?
The InChIKey is HZVWDFOOVLLBRW-UHFFFAOYSA-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).
What are the key properties of N-[2-(2-methoxyethoxy)ethyl]docosa-4,7,10,13,16,19-hexaenamide?
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 N-[2-(2-methoxyethoxy)ethyl]docosa-4,7,10,13,16,19-hexaenamide is sourced from PubChem (CID 78092290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).