4-N-hydroxy-1-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide

C16H15N3O5 — CID 44507928

IUPAC4-N-hydroxy-1-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2ccc(C(=O)NO)cc2)cc1O
InChIInChI=1S/C16H15N3O5/c1-24-14-7-2-10(8-13(14)20)9-17-18-15(21)11-3-5-12(6-4-11)16(22)19-23/h2-9,20,23H,1H3,(H,18,21)(H,19,22)/b17-9+
InChIKeyYGVVHVZAXGBGTG-RQZCQDPDSA-N
MW329.31 g/mol
LogP1.28
Rot. Bonds5

About 4-N-hydroxy-1-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide

4-N-hydroxy-1-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide (PubChem CID 44507928) has the molecular formula C16H15N3O5 and a molecular weight of 329.31 g/mol. Its IUPAC name is 4-N-hydroxy-1-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-hydroxy-1-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
PubChem CID44507928
Molecular FormulaC16H15N3O5
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC Name4-N-hydroxy-1-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2ccc(C(=O)NO)cc2)cc1O
InChIInChI=1S/C16H15N3O5/c1-24-14-7-2-10(8-13(14)20)9-17-18-15(21)11-3-5-12(6-4-11)16(22)19-23/h2-9,20,23H,1H3,(H,18,21)(H,19,22)/b17-9+
InChIKeyYGVVHVZAXGBGTG-RQZCQDPDSA-N
XLogP1.28
TPSA120.25 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 51.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-methylbenzamide
CID 910496
4-chloro-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzamide
CID 6870625
4-(2,2-dimethylpropanoylamino)-N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzamide
CID 6019682
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 689512
N-[(3,4-dihydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 5065376
4-[(4-chlorophenyl)sulfanylmethyl]-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzamide
CID 18267513
N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-methylbenzamide
CID 772813
N-[(3-bromo-4-methoxyphenyl)methylideneamino]-4-chlorobenzamide
CID 7368869
4-bromo-N-[(Z)-(3-iodo-4-methoxyphenyl)methylideneamino]benzamide
CID 5339727
1-N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-4-N-hydroxybenzene-1,4-dicarboxamide
CID 44507819
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-iodo-4-methoxybenzamide
CID 135559989
4-N-hydroxy-1-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 135883029

Frequently Asked Questions

What is the IUPAC name of 4-N-hydroxy-1-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-hydroxy-1-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide (CID 44507928) is 4-N-hydroxy-1-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-hydroxy-1-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-hydroxy-1-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide is COc1ccc(/C=N/NC(=O)c2ccc(C(=O)NO)cc2)cc1O.
What is the InChIKey of 4-N-hydroxy-1-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide?
The InChIKey is YGVVHVZAXGBGTG-RQZCQDPDSA-N. The full InChI is InChI=1S/C16H15N3O5/c1-24-14-7-2-10(8-13(14)20)9-17-18-15(21)11-3-5-12(6-4-11)16(22)19-23/h2-9,20,23H,1H3,(H,18,21)(H,19,22)/b17-9+.
What are the key properties of 4-N-hydroxy-1-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide?
4-N-hydroxy-1-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide has a molecular weight of 329.31 g/mol, XLogP of 1.28, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-hydroxy-1-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide is sourced from PubChem (CID 44507928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).