(E)-1-[6-[2-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethoxy]-3-pyridinyl]-N-methoxypropan-1-imine

C23H30N2O4 — CID 59910259

IUPAC(E)-1-[6-[2-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethoxy]-3-pyridinyl]-N-methoxypropan-1-imine
SMILESC/C=C/COc1cc(C)c(OCCOc2ccc(/C(CC)=N/OC)cn2)c(C)c1
InChIInChI=1S/C23H30N2O4/c1-6-8-11-27-20-14-17(3)23(18(4)15-20)29-13-12-28-22-10-9-19(16-24-22)21(7-2)25-26-5/h6,8-10,14-16H,7,11-13H2,1-5H3/b8-6+,25-21+
InChIKeySABWABGEXAFTIE-KZIJYRRFSA-N
MW398.50 g/mol
LogP4.87
Rot. Bonds11

About (E)-1-[6-[2-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethoxy]-3-pyridinyl]-N-methoxypropan-1-imine

(E)-1-[6-[2-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethoxy]-3-pyridinyl]-N-methoxypropan-1-imine (PubChem CID 59910259) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is (E)-1-[6-[2-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethoxy]-3-pyridinyl]-N-methoxypropan-1-imine.

Molecular Properties

Compound Name(E)-1-[6-[2-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethoxy]-3-pyridinyl]-N-methoxypropan-1-imine
PubChem CID59910259
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC Name(E)-1-[6-[2-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethoxy]-3-pyridinyl]-N-methoxypropan-1-imine
SMILESC/C=C/COc1cc(C)c(OCCOc2ccc(/C(CC)=N/OC)cn2)c(C)c1
InChIInChI=1S/C23H30N2O4/c1-6-8-11-27-20-14-17(3)23(18(4)15-20)29-13-12-28-22-10-9-19(16-24-22)21(7-2)25-26-5/h6,8-10,14-16H,7,11-13H2,1-5H3/b8-6+,25-21+
InChIKeySABWABGEXAFTIE-KZIJYRRFSA-N
XLogP4.87
TPSA62.17 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 54.87
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-[6-[2-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethoxy]-3-pyridinyl]-N-methoxypropan-1-imine with MolForge

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Related Compounds

1-[6-[8-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]octoxy]-3-pyridinyl]-N-methoxyethanimine
CID 159592567
(Z)-1-[6-[3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]propoxy]-3-pyridinyl]-2,2,2-trifluoro-N-methoxyethanimine
CID 23379442
(Z)-1-[6-[7-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]heptoxy]-3-pyridinyl]-2,2,2-trifluoro-N-methoxyethanimine
CID 23379465
(Z)-1-[4-[4-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]but-2-ynoxy]phenyl]-N-methoxypropan-1-imine;ethane
CID 90814844
1-[4-[2-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethoxy]phenyl]-N-methoxyethanimine
CID 159257232
(E)-1-[3-[5-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]pentyl]phenyl]-N-methoxypropan-1-imine
CID 59905158
2-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]-1-(4-chlorophenyl)-N-methoxyethanimine
CID 158594605
(E)-2-[5-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]pentoxy]-N-methoxy-1-(4-methylphenyl)ethanimine
CID 23379558
1-[6-[4-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]butyl]-3-pyridinyl]-N-methoxyethanimine
CID 158938958
(E)-1-[6-[3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]propoxy]pyridazin-3-yl]-N-methoxyethanimine
CID 22963002
(E)-2-[5-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]pentoxy]-1-(4-chlorophenyl)-N-methoxyethanimine
CID 23379552
1-[5-[2-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethoxy]pyrimidin-2-yl]-N-methoxyethanimine
CID 160976770

Frequently Asked Questions

What is the IUPAC name of (E)-1-[6-[2-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethoxy]-3-pyridinyl]-N-methoxypropan-1-imine?
The IUPAC name of (E)-1-[6-[2-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethoxy]-3-pyridinyl]-N-methoxypropan-1-imine (CID 59910259) is (E)-1-[6-[2-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethoxy]-3-pyridinyl]-N-methoxypropan-1-imine.
What is the SMILES notation for (E)-1-[6-[2-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethoxy]-3-pyridinyl]-N-methoxypropan-1-imine?
The canonical SMILES for (E)-1-[6-[2-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethoxy]-3-pyridinyl]-N-methoxypropan-1-imine is C/C=C/COc1cc(C)c(OCCOc2ccc(/C(CC)=N/OC)cn2)c(C)c1.
What is the InChIKey of (E)-1-[6-[2-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethoxy]-3-pyridinyl]-N-methoxypropan-1-imine?
The InChIKey is SABWABGEXAFTIE-KZIJYRRFSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-6-8-11-27-20-14-17(3)23(18(4)15-20)29-13-12-28-22-10-9-19(16-24-22)21(7-2)25-26-5/h6,8-10,14-16H,7,11-13H2,1-5H3/b8-6+,25-21+.
What are the key properties of (E)-1-[6-[2-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethoxy]-3-pyridinyl]-N-methoxypropan-1-imine?
(E)-1-[6-[2-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethoxy]-3-pyridinyl]-N-methoxypropan-1-imine has a molecular weight of 398.50 g/mol, XLogP of 4.87, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[6-[2-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethoxy]-3-pyridinyl]-N-methoxypropan-1-imine is sourced from PubChem (CID 59910259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).