4-[[bis[2-[(2-hydroxyphenyl)methylideneamino]ethyl]amino]methyl]-N-hydroxybenzeneamine oxide

C25H28N4O4 — CID 163170854

IUPAC4-[[bis[2-[(2-hydroxyphenyl)methylideneamino]ethyl]amino]methyl]-N-hydroxybenzeneamine oxide
SMILES[O-][NH+](O)c1ccc(CN(CC/N=C/c2ccccc2O)CC/N=C/c2ccccc2O)cc1
InChIInChI=1S/C25H28N4O4/c30-24-7-3-1-5-21(24)17-26-13-15-28(19-20-9-11-23(12-10-20)29(32)33)16-14-27-18-22-6-2-4-8-25(22)31/h1-12,17-18,29-32H,13-16,19H2/b26-17+,27-18+
InChIKeyVIDUCGJCIPSWKZ-HEPXYTLMSA-N
MW448.52 g/mol
LogP2.54
Rot. Bonds11

About 4-[[bis[2-[(2-hydroxyphenyl)methylideneamino]ethyl]amino]methyl]-N-hydroxybenzeneamine oxide

4-[[bis[2-[(2-hydroxyphenyl)methylideneamino]ethyl]amino]methyl]-N-hydroxybenzeneamine oxide (PubChem CID 163170854) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is 4-[[bis[2-[(2-hydroxyphenyl)methylideneamino]ethyl]amino]methyl]-N-hydroxybenzeneamine oxide.

Molecular Properties

Compound Name4-[[bis[2-[(2-hydroxyphenyl)methylideneamino]ethyl]amino]methyl]-N-hydroxybenzeneamine oxide
PubChem CID163170854
Molecular FormulaC25H28N4O4
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC Name4-[[bis[2-[(2-hydroxyphenyl)methylideneamino]ethyl]amino]methyl]-N-hydroxybenzeneamine oxide
SMILES[O-][NH+](O)c1ccc(CN(CC/N=C/c2ccccc2O)CC/N=C/c2ccccc2O)cc1
InChIInChI=1S/C25H28N4O4/c30-24-7-3-1-5-21(24)17-26-13-15-28(19-20-9-11-23(12-10-20)29(32)33)16-14-27-18-22-6-2-4-8-25(22)31/h1-12,17-18,29-32H,13-16,19H2/b26-17+,27-18+
InChIKeyVIDUCGJCIPSWKZ-HEPXYTLMSA-N
XLogP2.54
TPSA116.15 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 52.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[[(2-hydroxyphenyl)methyl-[2-[(2-hydroxyphenyl)methylideneamino]ethyl]amino]methyl]phenol
CID 136504665
2-[2-[bis(2-aminoethyl)amino]ethyliminomethyl]phenol
CID 135459839
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;manganese(2+)
CID 135568472
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;yttrium
CID 136641033
gold;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 136506148
cobalt;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;hydrate
CID 135442959
bis(2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol);iron;methanol
CID 135440481
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;oxovanadium(2+)
CID 158910145
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;oxochromium;perchlorate
CID 135406501
bis[2-[(2-hydroxyphenyl)methylideneamino]ethyl]azanide;copper(1+)
CID 135987878
dichlorotitanium;2-[3-[(2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol
CID 135852922
2-[3-[(2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol;oxochromium;perchlorate
CID 135501072

Frequently Asked Questions

What is the IUPAC name of 4-[[bis[2-[(2-hydroxyphenyl)methylideneamino]ethyl]amino]methyl]-N-hydroxybenzeneamine oxide?
The IUPAC name of 4-[[bis[2-[(2-hydroxyphenyl)methylideneamino]ethyl]amino]methyl]-N-hydroxybenzeneamine oxide (CID 163170854) is 4-[[bis[2-[(2-hydroxyphenyl)methylideneamino]ethyl]amino]methyl]-N-hydroxybenzeneamine oxide.
What is the SMILES notation for 4-[[bis[2-[(2-hydroxyphenyl)methylideneamino]ethyl]amino]methyl]-N-hydroxybenzeneamine oxide?
The canonical SMILES for 4-[[bis[2-[(2-hydroxyphenyl)methylideneamino]ethyl]amino]methyl]-N-hydroxybenzeneamine oxide is [O-][NH+](O)c1ccc(CN(CC/N=C/c2ccccc2O)CC/N=C/c2ccccc2O)cc1.
What is the InChIKey of 4-[[bis[2-[(2-hydroxyphenyl)methylideneamino]ethyl]amino]methyl]-N-hydroxybenzeneamine oxide?
The InChIKey is VIDUCGJCIPSWKZ-HEPXYTLMSA-N. The full InChI is InChI=1S/C25H28N4O4/c30-24-7-3-1-5-21(24)17-26-13-15-28(19-20-9-11-23(12-10-20)29(32)33)16-14-27-18-22-6-2-4-8-25(22)31/h1-12,17-18,29-32H,13-16,19H2/b26-17+,27-18+.
What are the key properties of 4-[[bis[2-[(2-hydroxyphenyl)methylideneamino]ethyl]amino]methyl]-N-hydroxybenzeneamine oxide?
4-[[bis[2-[(2-hydroxyphenyl)methylideneamino]ethyl]amino]methyl]-N-hydroxybenzeneamine oxide has a molecular weight of 448.52 g/mol, XLogP of 2.54, 11 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[bis[2-[(2-hydroxyphenyl)methylideneamino]ethyl]amino]methyl]-N-hydroxybenzeneamine oxide is sourced from PubChem (CID 163170854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).