(E)-1-[5-[2-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethoxy]-2-pyridinyl]-N-methoxyethanimine

C22H28N2O4 — CID 23379382

IUPAC(E)-1-[5-[2-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethoxy]-2-pyridinyl]-N-methoxyethanimine
SMILESC/C=C/COc1cc(C)c(OCCOc2ccc(/C(C)=N/OC)nc2)c(C)c1
InChIInChI=1S/C22H28N2O4/c1-6-7-10-26-20-13-16(2)22(17(3)14-20)28-12-11-27-19-8-9-21(23-15-19)18(4)24-25-5/h6-9,13-15H,10-12H2,1-5H3/b7-6+,24-18+
InChIKeyYSYJSRARMCBZFY-UBRAROFVSA-N
MW384.48 g/mol
LogP4.48
Rot. Bonds10

About (E)-1-[5-[2-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethoxy]-2-pyridinyl]-N-methoxyethanimine

(E)-1-[5-[2-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethoxy]-2-pyridinyl]-N-methoxyethanimine (PubChem CID 23379382) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is (E)-1-[5-[2-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethoxy]-2-pyridinyl]-N-methoxyethanimine.

Molecular Properties

Compound Name(E)-1-[5-[2-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethoxy]-2-pyridinyl]-N-methoxyethanimine
PubChem CID23379382
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name(E)-1-[5-[2-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethoxy]-2-pyridinyl]-N-methoxyethanimine
SMILESC/C=C/COc1cc(C)c(OCCOc2ccc(/C(C)=N/OC)nc2)c(C)c1
InChIInChI=1S/C22H28N2O4/c1-6-7-10-26-20-13-16(2)22(17(3)14-20)28-12-11-27-19-8-9-21(23-15-19)18(4)24-25-5/h6-9,13-15H,10-12H2,1-5H3/b7-6+,24-18+
InChIKeyYSYJSRARMCBZFY-UBRAROFVSA-N
XLogP4.48
TPSA62.17 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-1-[5-[2-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethoxy]-2-pyridinyl]-N-methoxyethanimine with MolForge

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Related Compounds

1-[5-[2-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethoxy]pyrimidin-2-yl]-N-methoxyethanimine
CID 160976770
1-[4-[2-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethoxy]phenyl]-N-methoxyethanimine
CID 159257232
(Z)-1-[5-[9-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]nonoxy]-2-pyridinyl]-2,2,2-trifluoro-N-methoxyethanimine
CID 23379434
(E)-1-[6-[3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]propoxy]pyridazin-3-yl]-N-methoxyethanimine
CID 22963002
1-[4-[5-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]pentoxy]phenyl]-N-methoxyethanimine
CID 158579292
(E)-1-[4-[9-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]nonoxy]phenyl]-N-methoxyethanimine
CID 22962874
1-[5-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]pyrazin-2-yl]-N-methoxyethanimine
CID 90874821
tetrakis(1-[5-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methoxy]-2-pyridinyl]-N-methoxyethanimine);tetrakis(1-[5-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-2-pyridinyl]-N-methoxyethanimine);bis(1-[5-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-2-pyridinyl]-N-methoxypropan-1-imine);ethane;ethene;methane
CID 159686464
(E)-1-[4-[5-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]pentoxy]-3,5-dimethylphenyl]-N-methoxyethanimine
CID 22962827
(E)-1-[4-[5-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]pentoxy]-2-chlorophenyl]-N-methoxyethanimine
CID 22962824
1-[6-[8-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]octoxy]-3-pyridinyl]-N-methoxyethanimine
CID 159592567
(E)-1-[3-[9-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]nonoxy]phenyl]-N-methoxyethanimine
CID 23379289

Frequently Asked Questions

What is the IUPAC name of (E)-1-[5-[2-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethoxy]-2-pyridinyl]-N-methoxyethanimine?
The IUPAC name of (E)-1-[5-[2-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethoxy]-2-pyridinyl]-N-methoxyethanimine (CID 23379382) is (E)-1-[5-[2-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethoxy]-2-pyridinyl]-N-methoxyethanimine.
What is the SMILES notation for (E)-1-[5-[2-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethoxy]-2-pyridinyl]-N-methoxyethanimine?
The canonical SMILES for (E)-1-[5-[2-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethoxy]-2-pyridinyl]-N-methoxyethanimine is C/C=C/COc1cc(C)c(OCCOc2ccc(/C(C)=N/OC)nc2)c(C)c1.
What is the InChIKey of (E)-1-[5-[2-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethoxy]-2-pyridinyl]-N-methoxyethanimine?
The InChIKey is YSYJSRARMCBZFY-UBRAROFVSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-6-7-10-26-20-13-16(2)22(17(3)14-20)28-12-11-27-19-8-9-21(23-15-19)18(4)24-25-5/h6-9,13-15H,10-12H2,1-5H3/b7-6+,24-18+.
What are the key properties of (E)-1-[5-[2-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethoxy]-2-pyridinyl]-N-methoxyethanimine?
(E)-1-[5-[2-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethoxy]-2-pyridinyl]-N-methoxyethanimine has a molecular weight of 384.48 g/mol, XLogP of 4.48, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[5-[2-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethoxy]-2-pyridinyl]-N-methoxyethanimine is sourced from PubChem (CID 23379382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).