4-[(E)-2-[6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N-methylaniline

C21H28N2O4 — CID 89181117

IUPAC4-[(E)-2-[6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N-methylaniline
SMILESCNc1ccc(/C=C/c2ccc(OCCOCCOCCOC)nc2)cc1
InChIInChI=1S/C21H28N2O4/c1-22-20-8-5-18(6-9-20)3-4-19-7-10-21(23-17-19)27-16-15-26-14-13-25-12-11-24-2/h3-10,17,22H,11-16H2,1-2H3/b4-3+
InChIKeyWGBIVAKDQVHCHV-ONEGZZNKSA-N
MW372.47 g/mol
LogP3.35
Rot. Bonds13

About 4-[(E)-2-[6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N-methylaniline

4-[(E)-2-[6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N-methylaniline (PubChem CID 89181117) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is 4-[(E)-2-[6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N-methylaniline.

Molecular Properties

Compound Name4-[(E)-2-[6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N-methylaniline
PubChem CID89181117
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name4-[(E)-2-[6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N-methylaniline
SMILESCNc1ccc(/C=C/c2ccc(OCCOCCOCCOC)nc2)cc1
InChIInChI=1S/C21H28N2O4/c1-22-20-8-5-18(6-9-20)3-4-19-7-10-21(23-17-19)27-16-15-26-14-13-25-12-11-24-2/h3-10,17,22H,11-16H2,1-2H3/b4-3+
InChIKeyWGBIVAKDQVHCHV-ONEGZZNKSA-N
XLogP3.35
TPSA61.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N-methylaniline?
The IUPAC name of 4-[(E)-2-[6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N-methylaniline (CID 89181117) is 4-[(E)-2-[6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N-methylaniline.
What is the SMILES notation for 4-[(E)-2-[6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N-methylaniline?
The canonical SMILES for 4-[(E)-2-[6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N-methylaniline is CNc1ccc(/C=C/c2ccc(OCCOCCOCCOC)nc2)cc1.
What is the InChIKey of 4-[(E)-2-[6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N-methylaniline?
The InChIKey is WGBIVAKDQVHCHV-ONEGZZNKSA-N. The full InChI is InChI=1S/C21H28N2O4/c1-22-20-8-5-18(6-9-20)3-4-19-7-10-21(23-17-19)27-16-15-26-14-13-25-12-11-24-2/h3-10,17,22H,11-16H2,1-2H3/b4-3+.
What are the key properties of 4-[(E)-2-[6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N-methylaniline?
4-[(E)-2-[6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N-methylaniline has a molecular weight of 372.47 g/mol, XLogP of 3.35, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N-methylaniline is sourced from PubChem (CID 89181117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).