N-[1-[4-[[2-[(E)-(2-hydroxyphenyl)methylideneamino]oxyacetyl]amino]phenyl]ethylideneamino]benzamide

C24H22N4O4 — CID 135607011

IUPACN-[1-[4-[[2-[(E)-(2-hydroxyphenyl)methylideneamino]oxyacetyl]amino]phenyl]ethylideneamino]benzamide
SMILESCC(=NNC(=O)c1ccccc1)c1ccc(NC(=O)CO/N=C/c2ccccc2O)cc1
InChIInChI=1S/C24H22N4O4/c1-17(27-28-24(31)19-7-3-2-4-8-19)18-11-13-21(14-12-18)26-23(30)16-32-25-15-20-9-5-6-10-22(20)29/h2-15,29H,16H2,1H3,(H,26,30)(H,28,31)/b25-15+,27-17?
InChIKeyYGYCGQAMLWVKPA-YAOTTWHDSA-N
MW430.46 g/mol
LogP3.54
Rot. Bonds8

About N-[1-[4-[[2-[(E)-(2-hydroxyphenyl)methylideneamino]oxyacetyl]amino]phenyl]ethylideneamino]benzamide

N-[1-[4-[[2-[(E)-(2-hydroxyphenyl)methylideneamino]oxyacetyl]amino]phenyl]ethylideneamino]benzamide (PubChem CID 135607011) has the molecular formula C24H22N4O4 and a molecular weight of 430.46 g/mol. Its IUPAC name is N-[1-[4-[[2-[(E)-(2-hydroxyphenyl)methylideneamino]oxyacetyl]amino]phenyl]ethylideneamino]benzamide.

Molecular Properties

Compound NameN-[1-[4-[[2-[(E)-(2-hydroxyphenyl)methylideneamino]oxyacetyl]amino]phenyl]ethylideneamino]benzamide
PubChem CID135607011
Molecular FormulaC24H22N4O4
Molecular Weight430.46 g/mol
Exact Mass430.16
IUPAC NameN-[1-[4-[[2-[(E)-(2-hydroxyphenyl)methylideneamino]oxyacetyl]amino]phenyl]ethylideneamino]benzamide
SMILESCC(=NNC(=O)c1ccccc1)c1ccc(NC(=O)CO/N=C/c2ccccc2O)cc1
InChIInChI=1S/C24H22N4O4/c1-17(27-28-24(31)19-7-3-2-4-8-19)18-11-13-21(14-12-18)26-23(30)16-32-25-15-20-9-5-6-10-22(20)29/h2-15,29H,16H2,1H3,(H,26,30)(H,28,31)/b25-15+,27-17?
InChIKeyYGYCGQAMLWVKPA-YAOTTWHDSA-N
XLogP3.54
TPSA112.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 53.54
H-Bond Donors ≤ 53
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'}

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Related Compounds

N-[(Z)-1-[4-(2-anilino-2-oxoethoxy)phenyl]ethylideneamino]benzamide
CID 9058750
N-[(Z)-1-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]ethylideneamino]benzamide
CID 135577594
4-(2-anilino-2-oxoethoxy)-N-[(2-hydroxyphenyl)methylideneamino]benzamide
CID 3595179
N-(4-acetylphenyl)-2-[(2-ethoxyphenyl)methylideneamino]oxyacetamide
CID 2530880
4-hydroxy-N-[(Z)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide
CID 26871428
4-benzamido-N-[(Z)-1-(4-bromophenyl)ethylideneamino]benzamide
CID 6272222
N-[(Z)-1-[4-(2-anilino-2-oxoethoxy)phenyl]ethylideneamino]-4-methoxybenzamide
CID 9359242
N-(4-fluorophenyl)-2-[(Z)-(2-methylphenyl)methylideneamino]oxyacetamide
CID 7670162
4-benzamido-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 3289478
N-[(E)-1-phenylethylideneamino]-4-(2-propylpentanoylamino)benzamide
CID 177461026
2-[(Z)-(2-methoxyphenyl)methylideneamino]oxy-N-(4-phenyldiazenylphenyl)acetamide
CID 7664217
4-[[2-[(Z)-benzylideneamino]oxyacetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 7644043

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[[2-[(E)-(2-hydroxyphenyl)methylideneamino]oxyacetyl]amino]phenyl]ethylideneamino]benzamide?
The IUPAC name of N-[1-[4-[[2-[(E)-(2-hydroxyphenyl)methylideneamino]oxyacetyl]amino]phenyl]ethylideneamino]benzamide (CID 135607011) is N-[1-[4-[[2-[(E)-(2-hydroxyphenyl)methylideneamino]oxyacetyl]amino]phenyl]ethylideneamino]benzamide.
What is the SMILES notation for N-[1-[4-[[2-[(E)-(2-hydroxyphenyl)methylideneamino]oxyacetyl]amino]phenyl]ethylideneamino]benzamide?
The canonical SMILES for N-[1-[4-[[2-[(E)-(2-hydroxyphenyl)methylideneamino]oxyacetyl]amino]phenyl]ethylideneamino]benzamide is CC(=NNC(=O)c1ccccc1)c1ccc(NC(=O)CO/N=C/c2ccccc2O)cc1.
What is the InChIKey of N-[1-[4-[[2-[(E)-(2-hydroxyphenyl)methylideneamino]oxyacetyl]amino]phenyl]ethylideneamino]benzamide?
The InChIKey is YGYCGQAMLWVKPA-YAOTTWHDSA-N. The full InChI is InChI=1S/C24H22N4O4/c1-17(27-28-24(31)19-7-3-2-4-8-19)18-11-13-21(14-12-18)26-23(30)16-32-25-15-20-9-5-6-10-22(20)29/h2-15,29H,16H2,1H3,(H,26,30)(H,28,31)/b25-15+,27-17?.
What are the key properties of N-[1-[4-[[2-[(E)-(2-hydroxyphenyl)methylideneamino]oxyacetyl]amino]phenyl]ethylideneamino]benzamide?
N-[1-[4-[[2-[(E)-(2-hydroxyphenyl)methylideneamino]oxyacetyl]amino]phenyl]ethylideneamino]benzamide has a molecular weight of 430.46 g/mol, XLogP of 3.54, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[[2-[(E)-(2-hydroxyphenyl)methylideneamino]oxyacetyl]amino]phenyl]ethylideneamino]benzamide is sourced from PubChem (CID 135607011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).