(E)-N-[(E)-1-[4-(oxetan-3-yloxy)phenyl]ethylideneamino]-1-[4-(oxiran-2-ylmethoxy)phenyl]ethanimine

C22H24N2O4 — CID 139468364

IUPAC(E)-N-[(E)-1-[4-(oxetan-3-yloxy)phenyl]ethylideneamino]-1-[4-(oxiran-2-ylmethoxy)phenyl]ethanimine
SMILESC/C(=N\N=C(/C)c1ccc(OC2COC2)cc1)c1ccc(OCC2CO2)cc1
InChIInChI=1S/C22H24N2O4/c1-15(17-3-7-19(8-4-17)26-13-21-14-27-21)23-24-16(2)18-5-9-20(10-6-18)28-22-11-25-12-22/h3-10,21-22H,11-14H2,1-2H3/b23-15+,24-16+
InChIKeyXWAUJFFUBVSUSE-DFEHQXHXSA-N
MW380.44 g/mol
LogP3.47
Rot. Bonds8

About (E)-N-[(E)-1-[4-(oxetan-3-yloxy)phenyl]ethylideneamino]-1-[4-(oxiran-2-ylmethoxy)phenyl]ethanimine

(E)-N-[(E)-1-[4-(oxetan-3-yloxy)phenyl]ethylideneamino]-1-[4-(oxiran-2-ylmethoxy)phenyl]ethanimine (PubChem CID 139468364) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is (E)-N-[(E)-1-[4-(oxetan-3-yloxy)phenyl]ethylideneamino]-1-[4-(oxiran-2-ylmethoxy)phenyl]ethanimine.

Molecular Properties

Compound Name(E)-N-[(E)-1-[4-(oxetan-3-yloxy)phenyl]ethylideneamino]-1-[4-(oxiran-2-ylmethoxy)phenyl]ethanimine
PubChem CID139468364
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name(E)-N-[(E)-1-[4-(oxetan-3-yloxy)phenyl]ethylideneamino]-1-[4-(oxiran-2-ylmethoxy)phenyl]ethanimine
SMILESC/C(=N\N=C(/C)c1ccc(OC2COC2)cc1)c1ccc(OCC2CO2)cc1
InChIInChI=1S/C22H24N2O4/c1-15(17-3-7-19(8-4-17)26-13-21-14-27-21)23-24-16(2)18-5-9-20(10-6-18)28-22-11-25-12-22/h3-10,21-22H,11-14H2,1-2H3/b23-15+,24-16+
InChIKeyXWAUJFFUBVSUSE-DFEHQXHXSA-N
XLogP3.47
TPSA64.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.47
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': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-[4-[[4-(oxetan-3-yloxy)phenyl]methyl]phenoxy]-3-[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]propan-2-ol
CID 59660341
(2S)-2-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176
bis[4-(oxiran-2-ylmethoxy)phenyl]diazene
CID 4055525
[4-(oxiran-2-ylmethoxy)phenyl] acetate
CID 57173964
(NE)-N-[1-[4-(oxolan-2-ylmethoxy)phenyl]ethylidene]hydroxylamine
CID 24690511
bis[4-(oxiran-2-ylmethoxy)phenyl] benzene-1,4-dicarboxylate
CID 101169143
methane;4-(oxiran-2-ylmethoxy)phenol
CID 159818409
N-[4-[[(2S)-oxiran-2-yl]methoxy]phenyl]acetamide
CID 737230
6-[4-(oxiran-2-ylmethoxy)benzoyl]oxyhexyl 4-(oxiran-2-ylmethoxy)benzoate
CID 102495906
2-[(4-methylphenoxy)methyl]oxirane;propane
CID 90972730
2-[(4-decylphenoxy)methyl]oxirane
CID 57169854
ethane;tetrakis(2-(phenoxymethyl)oxirane)
CID 160621496

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(E)-1-[4-(oxetan-3-yloxy)phenyl]ethylideneamino]-1-[4-(oxiran-2-ylmethoxy)phenyl]ethanimine?
The IUPAC name of (E)-N-[(E)-1-[4-(oxetan-3-yloxy)phenyl]ethylideneamino]-1-[4-(oxiran-2-ylmethoxy)phenyl]ethanimine (CID 139468364) is (E)-N-[(E)-1-[4-(oxetan-3-yloxy)phenyl]ethylideneamino]-1-[4-(oxiran-2-ylmethoxy)phenyl]ethanimine.
What is the SMILES notation for (E)-N-[(E)-1-[4-(oxetan-3-yloxy)phenyl]ethylideneamino]-1-[4-(oxiran-2-ylmethoxy)phenyl]ethanimine?
The canonical SMILES for (E)-N-[(E)-1-[4-(oxetan-3-yloxy)phenyl]ethylideneamino]-1-[4-(oxiran-2-ylmethoxy)phenyl]ethanimine is C/C(=N\N=C(/C)c1ccc(OC2COC2)cc1)c1ccc(OCC2CO2)cc1.
What is the InChIKey of (E)-N-[(E)-1-[4-(oxetan-3-yloxy)phenyl]ethylideneamino]-1-[4-(oxiran-2-ylmethoxy)phenyl]ethanimine?
The InChIKey is XWAUJFFUBVSUSE-DFEHQXHXSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-15(17-3-7-19(8-4-17)26-13-21-14-27-21)23-24-16(2)18-5-9-20(10-6-18)28-22-11-25-12-22/h3-10,21-22H,11-14H2,1-2H3/b23-15+,24-16+.
What are the key properties of (E)-N-[(E)-1-[4-(oxetan-3-yloxy)phenyl]ethylideneamino]-1-[4-(oxiran-2-ylmethoxy)phenyl]ethanimine?
(E)-N-[(E)-1-[4-(oxetan-3-yloxy)phenyl]ethylideneamino]-1-[4-(oxiran-2-ylmethoxy)phenyl]ethanimine has a molecular weight of 380.44 g/mol, XLogP of 3.47, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-1-[4-(oxetan-3-yloxy)phenyl]ethylideneamino]-1-[4-(oxiran-2-ylmethoxy)phenyl]ethanimine is sourced from PubChem (CID 139468364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).