N-(4-ethoxy-3,5-dimethoxy-6-methyloxan-2-yl)oxy-1-[4-[2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]methanimine

C26H30F3NO5 — CID 75238877

IUPACN-(4-ethoxy-3,5-dimethoxy-6-methyloxan-2-yl)oxy-1-[4-[2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]methanimine
SMILESCCOC1C(OC)C(C)OC(ON=Cc2ccc(C=Cc3ccc(C(F)(F)F)cc3)cc2)C1OC
InChIInChI=1S/C26H30F3NO5/c1-5-33-23-22(31-3)17(2)34-25(24(23)32-4)35-30-16-20-10-8-18(9-11-20)6-7-19-12-14-21(15-13-19)26(27,28)29/h6-17,22-25H,5H2,1-4H3
InChIKeyZOZFCLZMNYCVLH-UHFFFAOYSA-N
MW493.52 g/mol
LogP5.41
Rot. Bonds9

About N-(4-ethoxy-3,5-dimethoxy-6-methyloxan-2-yl)oxy-1-[4-[2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]methanimine

N-(4-ethoxy-3,5-dimethoxy-6-methyloxan-2-yl)oxy-1-[4-[2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]methanimine (PubChem CID 75238877) has the molecular formula C26H30F3NO5 and a molecular weight of 493.52 g/mol. Its IUPAC name is N-(4-ethoxy-3,5-dimethoxy-6-methyloxan-2-yl)oxy-1-[4-[2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]methanimine.

Molecular Properties

Compound NameN-(4-ethoxy-3,5-dimethoxy-6-methyloxan-2-yl)oxy-1-[4-[2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]methanimine
PubChem CID75238877
Molecular FormulaC26H30F3NO5
Molecular Weight493.52 g/mol
Exact Mass493.21
IUPAC NameN-(4-ethoxy-3,5-dimethoxy-6-methyloxan-2-yl)oxy-1-[4-[2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]methanimine
SMILESCCOC1C(OC)C(C)OC(ON=Cc2ccc(C=Cc3ccc(C(F)(F)F)cc3)cc2)C1OC
InChIInChI=1S/C26H30F3NO5/c1-5-33-23-22(31-3)17(2)34-25(24(23)32-4)35-30-16-20-10-8-18(9-11-20)6-7-19-12-14-21(15-13-19)26(27,28)29/h6-17,22-25H,5H2,1-4H3
InChIKeyZOZFCLZMNYCVLH-UHFFFAOYSA-N
XLogP5.41
TPSA58.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.52
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(4-ethoxy-3,5-dimethoxy-6-methyloxan-2-yl)oxy-1-[4-[2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]methanimine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3,5-dimethoxy-6-methyloxan-2-yl)oxy-1-[4-[2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]methanimine?
The IUPAC name of N-(4-ethoxy-3,5-dimethoxy-6-methyloxan-2-yl)oxy-1-[4-[2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]methanimine (CID 75238877) is N-(4-ethoxy-3,5-dimethoxy-6-methyloxan-2-yl)oxy-1-[4-[2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]methanimine.
What is the SMILES notation for N-(4-ethoxy-3,5-dimethoxy-6-methyloxan-2-yl)oxy-1-[4-[2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]methanimine?
The canonical SMILES for N-(4-ethoxy-3,5-dimethoxy-6-methyloxan-2-yl)oxy-1-[4-[2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]methanimine is CCOC1C(OC)C(C)OC(ON=Cc2ccc(C=Cc3ccc(C(F)(F)F)cc3)cc2)C1OC.
What is the InChIKey of N-(4-ethoxy-3,5-dimethoxy-6-methyloxan-2-yl)oxy-1-[4-[2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]methanimine?
The InChIKey is ZOZFCLZMNYCVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F3NO5/c1-5-33-23-22(31-3)17(2)34-25(24(23)32-4)35-30-16-20-10-8-18(9-11-20)6-7-19-12-14-21(15-13-19)26(27,28)29/h6-17,22-25H,5H2,1-4H3.
What are the key properties of N-(4-ethoxy-3,5-dimethoxy-6-methyloxan-2-yl)oxy-1-[4-[2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]methanimine?
N-(4-ethoxy-3,5-dimethoxy-6-methyloxan-2-yl)oxy-1-[4-[2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]methanimine has a molecular weight of 493.52 g/mol, XLogP of 5.41, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-3,5-dimethoxy-6-methyloxan-2-yl)oxy-1-[4-[2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]methanimine is sourced from PubChem (CID 75238877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).