4-N-hydroxy-1-N-[(E)-[4-[4-[(E)-[[4-(hydroxycarbamoyl)benzoyl]hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]benzene-1,4-dicarboxamide

C30H24N6O6 — CID 135613044

IUPAC4-N-hydroxy-1-N-[(E)-[4-[4-[(E)-[[4-(hydroxycarbamoyl)benzoyl]hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]benzene-1,4-dicarboxamide
SMILESO=C(NO)c1ccc(C(=O)N/N=C/c2ccc(-c3ccc(/C=N/NC(=O)c4ccc(C(=O)NO)cc4)cc3)cc2)cc1
InChIInChI=1S/C30H24N6O6/c37-27(23-9-13-25(14-10-23)29(39)35-41)33-31-17-19-1-5-21(6-2-19)22-7-3-20(4-8-22)18-32-34-28(38)24-11-15-26(16-12-24)30(40)36-42/h1-18,41-42H,(H,33,37)(H,34,38)(H,35,39)(H,36,40)/b31-17+,32-18+
InChIKeyXJTFSDNPYXRFCT-LTTYKRRRSA-N
MW564.56 g/mol
LogP3.12
Rot. Bonds9

About 4-N-hydroxy-1-N-[(E)-[4-[4-[(E)-[[4-(hydroxycarbamoyl)benzoyl]hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]benzene-1,4-dicarboxamide

4-N-hydroxy-1-N-[(E)-[4-[4-[(E)-[[4-(hydroxycarbamoyl)benzoyl]hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]benzene-1,4-dicarboxamide (PubChem CID 135613044) has the molecular formula C30H24N6O6 and a molecular weight of 564.56 g/mol. Its IUPAC name is 4-N-hydroxy-1-N-[(E)-[4-[4-[(E)-[[4-(hydroxycarbamoyl)benzoyl]hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-hydroxy-1-N-[(E)-[4-[4-[(E)-[[4-(hydroxycarbamoyl)benzoyl]hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]benzene-1,4-dicarboxamide
PubChem CID135613044
Molecular FormulaC30H24N6O6
Molecular Weight564.56 g/mol
Exact Mass564.18
IUPAC Name4-N-hydroxy-1-N-[(E)-[4-[4-[(E)-[[4-(hydroxycarbamoyl)benzoyl]hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]benzene-1,4-dicarboxamide
SMILESO=C(NO)c1ccc(C(=O)N/N=C/c2ccc(-c3ccc(/C=N/NC(=O)c4ccc(C(=O)NO)cc4)cc3)cc2)cc1
InChIInChI=1S/C30H24N6O6/c37-27(23-9-13-25(14-10-23)29(39)35-41)33-31-17-19-1-5-21(6-2-19)22-7-3-20(4-8-22)18-32-34-28(38)24-11-15-26(16-12-24)30(40)36-42/h1-18,41-42H,(H,33,37)(H,34,38)(H,35,39)(H,36,40)/b31-17+,32-18+
InChIKeyXJTFSDNPYXRFCT-LTTYKRRRSA-N
XLogP3.12
TPSA181.58 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.56
LogP ≤ 53.12
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-N-hydroxy-1-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 135883029
4-bromo-N-[(4-bromophenyl)methylideneamino]benzamide
CID 603280
4-[3-(hydroxyamino)-3-oxoprop-1-enyl]-N-[(4-phenylphenyl)methylideneamino]benzamide
CID 123393502
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-4-phenylbenzamide
CID 136661498
4-fluoro-N-[(E)-(4-fluorophenyl)methylideneamino]benzamide
CID 5333155
4-fluoro-N-[(Z)-(4-fluorophenyl)methylideneamino]benzamide
CID 5394348
4-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide;methanol
CID 139076899
N-[(Z)-(4-fluorophenyl)methylideneamino]-4-methylbenzamide
CID 5405739
4-hydroxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 789070
N-[(4-cyanophenyl)methylideneamino]-4-phenylbenzamide
CID 681341
4-N-hydroxy-1-N-[(E)-[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]benzene-1,4-dicarboxamide
CID 44506545
1-N-[(3-fluoro-4-phenylphenyl)methylideneamino]-4-N-hydroxybenzene-1,4-dicarboxamide
CID 75036859

Frequently Asked Questions

What is the IUPAC name of 4-N-hydroxy-1-N-[(E)-[4-[4-[(E)-[[4-(hydroxycarbamoyl)benzoyl]hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-hydroxy-1-N-[(E)-[4-[4-[(E)-[[4-(hydroxycarbamoyl)benzoyl]hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]benzene-1,4-dicarboxamide (CID 135613044) is 4-N-hydroxy-1-N-[(E)-[4-[4-[(E)-[[4-(hydroxycarbamoyl)benzoyl]hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-hydroxy-1-N-[(E)-[4-[4-[(E)-[[4-(hydroxycarbamoyl)benzoyl]hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-hydroxy-1-N-[(E)-[4-[4-[(E)-[[4-(hydroxycarbamoyl)benzoyl]hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]benzene-1,4-dicarboxamide is O=C(NO)c1ccc(C(=O)N/N=C/c2ccc(-c3ccc(/C=N/NC(=O)c4ccc(C(=O)NO)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-N-hydroxy-1-N-[(E)-[4-[4-[(E)-[[4-(hydroxycarbamoyl)benzoyl]hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]benzene-1,4-dicarboxamide?
The InChIKey is XJTFSDNPYXRFCT-LTTYKRRRSA-N. The full InChI is InChI=1S/C30H24N6O6/c37-27(23-9-13-25(14-10-23)29(39)35-41)33-31-17-19-1-5-21(6-2-19)22-7-3-20(4-8-22)18-32-34-28(38)24-11-15-26(16-12-24)30(40)36-42/h1-18,41-42H,(H,33,37)(H,34,38)(H,35,39)(H,36,40)/b31-17+,32-18+.
What are the key properties of 4-N-hydroxy-1-N-[(E)-[4-[4-[(E)-[[4-(hydroxycarbamoyl)benzoyl]hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]benzene-1,4-dicarboxamide?
4-N-hydroxy-1-N-[(E)-[4-[4-[(E)-[[4-(hydroxycarbamoyl)benzoyl]hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]benzene-1,4-dicarboxamide has a molecular weight of 564.56 g/mol, XLogP of 3.12, 9 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-hydroxy-1-N-[(E)-[4-[4-[(E)-[[4-(hydroxycarbamoyl)benzoyl]hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]benzene-1,4-dicarboxamide is sourced from PubChem (CID 135613044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).