1-(1-benzofuran-2-yl)-N-[[4-[[1-(1-benzofuran-2-yl)ethylideneamino]oxymethyl]phenyl]methoxy]ethanimine

C28H24N2O4 — CID 3593438

IUPAC1-(1-benzofuran-2-yl)-N-[[4-[[1-(1-benzofuran-2-yl)ethylideneamino]oxymethyl]phenyl]methoxy]ethanimine
SMILESCC(=NOCc1ccc(CON=C(C)c2cc3ccccc3o2)cc1)c1cc2ccccc2o1
InChIInChI=1S/C28H24N2O4/c1-19(27-15-23-7-3-5-9-25(23)33-27)29-31-17-21-11-13-22(14-12-21)18-32-30-20(2)28-16-24-8-4-6-10-26(24)34-28/h3-16H,17-18H2,1-2H3
InChIKeyLUOWIJDFBUTRSN-UHFFFAOYSA-N
MW452.51 g/mol
LogP7.06
Rot. Bonds8

About 1-(1-benzofuran-2-yl)-N-[[4-[[1-(1-benzofuran-2-yl)ethylideneamino]oxymethyl]phenyl]methoxy]ethanimine

1-(1-benzofuran-2-yl)-N-[[4-[[1-(1-benzofuran-2-yl)ethylideneamino]oxymethyl]phenyl]methoxy]ethanimine (PubChem CID 3593438) has the molecular formula C28H24N2O4 and a molecular weight of 452.51 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-N-[[4-[[1-(1-benzofuran-2-yl)ethylideneamino]oxymethyl]phenyl]methoxy]ethanimine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-N-[[4-[[1-(1-benzofuran-2-yl)ethylideneamino]oxymethyl]phenyl]methoxy]ethanimine
PubChem CID3593438
Molecular FormulaC28H24N2O4
Molecular Weight452.51 g/mol
Exact Mass452.17
IUPAC Name1-(1-benzofuran-2-yl)-N-[[4-[[1-(1-benzofuran-2-yl)ethylideneamino]oxymethyl]phenyl]methoxy]ethanimine
SMILESCC(=NOCc1ccc(CON=C(C)c2cc3ccccc3o2)cc1)c1cc2ccccc2o1
InChIInChI=1S/C28H24N2O4/c1-19(27-15-23-7-3-5-9-25(23)33-27)29-31-17-21-11-13-22(14-12-21)18-32-30-20(2)28-16-24-8-4-6-10-26(24)34-28/h3-16H,17-18H2,1-2H3
InChIKeyLUOWIJDFBUTRSN-UHFFFAOYSA-N
XLogP7.06
TPSA69.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.51
LogP ≤ 57.06
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'}

Analyze 1-(1-benzofuran-2-yl)-N-[[4-[[1-(1-benzofuran-2-yl)ethylideneamino]oxymethyl]phenyl]methoxy]ethanimine with MolForge

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Related Compounds

(E)-1-(1-benzofuran-2-yl)-N-[(2,6-difluorophenyl)methoxy]ethanimine
CID 139086407
[(E)-1-(1-benzofuran-2-yl)ethylideneamino] acetate
CID 53467236
3-[(E)-N-[(4-fluorophenyl)methoxy]-C-methylcarbonimidoyl]chromen-2-one
CID 177375369
2-[1-(1-benzofuran-2-yl)ethylideneamino]oxy-1-pyrrolidin-1-ylethanone
CID 5136485
N-[(E)-1-(1-benzofuran-2-yl)ethylideneamino]-N-methylmethanamine
CID 59951457
2-[1-(1-benzofuran-2-yl)ethylideneamino]oxy-N-benzyl-N-(2-phenylethyl)acetamide
CID 3930338
2-[1-(1-benzofuran-2-yl)ethylideneamino]oxy-N-(2,3,4-trifluorophenyl)acetamide
CID 4008216
1-(1-benzofuran-2-yl)ethanone
CID 15435
1-(1-benzofuran-2-yl)-2-ethylsulfinylethanone
CID 64639066
N-[(Z)-1-(1-benzofuran-2-yl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 9013735
[1-benzofuran-2-yl(methoxy)methylidene]chromium
CID 134878936
(Z)-4-(1-benzofuran-2-yl)pent-3-en-2-ol
CID 103971192

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-N-[[4-[[1-(1-benzofuran-2-yl)ethylideneamino]oxymethyl]phenyl]methoxy]ethanimine?
The IUPAC name of 1-(1-benzofuran-2-yl)-N-[[4-[[1-(1-benzofuran-2-yl)ethylideneamino]oxymethyl]phenyl]methoxy]ethanimine (CID 3593438) is 1-(1-benzofuran-2-yl)-N-[[4-[[1-(1-benzofuran-2-yl)ethylideneamino]oxymethyl]phenyl]methoxy]ethanimine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-N-[[4-[[1-(1-benzofuran-2-yl)ethylideneamino]oxymethyl]phenyl]methoxy]ethanimine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-N-[[4-[[1-(1-benzofuran-2-yl)ethylideneamino]oxymethyl]phenyl]methoxy]ethanimine is CC(=NOCc1ccc(CON=C(C)c2cc3ccccc3o2)cc1)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-N-[[4-[[1-(1-benzofuran-2-yl)ethylideneamino]oxymethyl]phenyl]methoxy]ethanimine?
The InChIKey is LUOWIJDFBUTRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O4/c1-19(27-15-23-7-3-5-9-25(23)33-27)29-31-17-21-11-13-22(14-12-21)18-32-30-20(2)28-16-24-8-4-6-10-26(24)34-28/h3-16H,17-18H2,1-2H3.
What are the key properties of 1-(1-benzofuran-2-yl)-N-[[4-[[1-(1-benzofuran-2-yl)ethylideneamino]oxymethyl]phenyl]methoxy]ethanimine?
1-(1-benzofuran-2-yl)-N-[[4-[[1-(1-benzofuran-2-yl)ethylideneamino]oxymethyl]phenyl]methoxy]ethanimine has a molecular weight of 452.51 g/mol, XLogP of 7.06, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-N-[[4-[[1-(1-benzofuran-2-yl)ethylideneamino]oxymethyl]phenyl]methoxy]ethanimine is sourced from PubChem (CID 3593438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).