(E)-1-[6-[3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]propoxy]pyridazin-3-yl]-N-methoxyethanimine

C22H29N3O4 — CID 22963002

IUPAC(E)-1-[6-[3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]propoxy]pyridazin-3-yl]-N-methoxyethanimine
SMILESC/C=C/COc1cc(C)c(OCCCOc2ccc(/C(C)=N/OC)nn2)c(C)c1
InChIInChI=1S/C22H29N3O4/c1-6-7-11-27-19-14-16(2)22(17(3)15-19)29-13-8-12-28-21-10-9-20(23-24-21)18(4)25-26-5/h6-7,9-10,14-15H,8,11-13H2,1-5H3/b7-6+,25-18+
InChIKeyIPGUEXKSDDGHIF-MAIARSTMSA-N
MW399.49 g/mol
LogP4.27
Rot. Bonds11

About (E)-1-[6-[3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]propoxy]pyridazin-3-yl]-N-methoxyethanimine

(E)-1-[6-[3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]propoxy]pyridazin-3-yl]-N-methoxyethanimine (PubChem CID 22963002) has the molecular formula C22H29N3O4 and a molecular weight of 399.49 g/mol. Its IUPAC name is (E)-1-[6-[3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]propoxy]pyridazin-3-yl]-N-methoxyethanimine.

Molecular Properties

Compound Name(E)-1-[6-[3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]propoxy]pyridazin-3-yl]-N-methoxyethanimine
PubChem CID22963002
Molecular FormulaC22H29N3O4
Molecular Weight399.49 g/mol
Exact Mass399.22
IUPAC Name(E)-1-[6-[3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]propoxy]pyridazin-3-yl]-N-methoxyethanimine
SMILESC/C=C/COc1cc(C)c(OCCCOc2ccc(/C(C)=N/OC)nn2)c(C)c1
InChIInChI=1S/C22H29N3O4/c1-6-7-11-27-19-14-16(2)22(17(3)15-19)29-13-8-12-28-21-10-9-20(23-24-21)18(4)25-26-5/h6-7,9-10,14-15H,8,11-13H2,1-5H3/b7-6+,25-18+
InChIKeyIPGUEXKSDDGHIF-MAIARSTMSA-N
XLogP4.27
TPSA75.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-[6-[3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]propoxy]pyridazin-3-yl]-N-methoxyethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-1-[5-[2-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethoxy]-2-pyridinyl]-N-methoxyethanimine
CID 23379382
1-[6-[8-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]octoxy]-3-pyridinyl]-N-methoxyethanimine
CID 159592567
(E)-1-[4-[5-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]pentoxy]-3,5-dimethylphenyl]-N-methoxyethanimine
CID 22962827
(E)-1-[3-[4-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]butoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine
CID 22962514
(E)-1-[4-[9-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]nonoxy]phenyl]-N-methoxyethanimine
CID 22962874
1-[4-[5-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]pentoxy]phenyl]-N-methoxyethanimine
CID 158579292
1-[4-[4-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]butoxy]-2,5-dimethylphenyl]-N-methoxyethanimine
CID 160806894
1-[4-[2-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethoxy]phenyl]-N-methoxyethanimine
CID 159257232
(E)-1-[2-[5-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]pentoxy]-1,3-thiazol-4-yl]-N-methoxyethanimine
CID 23379243
1-[5-[2-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethoxy]pyrimidin-2-yl]-N-methoxyethanimine
CID 160976770
tris(1-[3-[4-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]butoxy]phenyl]-N-methoxyethanimine);tris(1-[3-[5-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]pentoxy]phenyl]-N-methoxyethanimine);tris(1-[3-[3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]propoxy]phenyl]-N-methoxyethanimine);ethane
CID 161032931
(Z)-1-[6-[3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]propoxy]-3-pyridinyl]-2,2,2-trifluoro-N-methoxyethanimine
CID 23379442

Frequently Asked Questions

What is the IUPAC name of (E)-1-[6-[3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]propoxy]pyridazin-3-yl]-N-methoxyethanimine?
The IUPAC name of (E)-1-[6-[3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]propoxy]pyridazin-3-yl]-N-methoxyethanimine (CID 22963002) is (E)-1-[6-[3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]propoxy]pyridazin-3-yl]-N-methoxyethanimine.
What is the SMILES notation for (E)-1-[6-[3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]propoxy]pyridazin-3-yl]-N-methoxyethanimine?
The canonical SMILES for (E)-1-[6-[3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]propoxy]pyridazin-3-yl]-N-methoxyethanimine is C/C=C/COc1cc(C)c(OCCCOc2ccc(/C(C)=N/OC)nn2)c(C)c1.
What is the InChIKey of (E)-1-[6-[3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]propoxy]pyridazin-3-yl]-N-methoxyethanimine?
The InChIKey is IPGUEXKSDDGHIF-MAIARSTMSA-N. The full InChI is InChI=1S/C22H29N3O4/c1-6-7-11-27-19-14-16(2)22(17(3)15-19)29-13-8-12-28-21-10-9-20(23-24-21)18(4)25-26-5/h6-7,9-10,14-15H,8,11-13H2,1-5H3/b7-6+,25-18+.
What are the key properties of (E)-1-[6-[3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]propoxy]pyridazin-3-yl]-N-methoxyethanimine?
(E)-1-[6-[3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]propoxy]pyridazin-3-yl]-N-methoxyethanimine has a molecular weight of 399.49 g/mol, XLogP of 4.27, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[6-[3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]propoxy]pyridazin-3-yl]-N-methoxyethanimine is sourced from PubChem (CID 22963002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).