N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-N'-hydroxyhexanediamide

C13H17N3O5 — CID 135883068

IUPACN-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-N'-hydroxyhexanediamide
SMILESO=C(CCCCC(=O)N/N=C/c1cc(O)ccc1O)NO
InChIInChI=1S/C13H17N3O5/c17-10-5-6-11(18)9(7-10)8-14-15-12(19)3-1-2-4-13(20)16-21/h5-8,17-18,21H,1-4H2,(H,15,19)(H,16,20)/b14-8+
InChIKeyWOIVZIDUOPZNCP-RIYZIHGNSA-N
MW295.29 g/mol
LogP0.61
Rot. Bonds7

About N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-N'-hydroxyhexanediamide

N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-N'-hydroxyhexanediamide (PubChem CID 135883068) has the molecular formula C13H17N3O5 and a molecular weight of 295.29 g/mol. Its IUPAC name is N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-N'-hydroxyhexanediamide.

Molecular Properties

Compound NameN-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-N'-hydroxyhexanediamide
PubChem CID135883068
Molecular FormulaC13H17N3O5
Molecular Weight295.29 g/mol
Exact Mass295.12
IUPAC NameN-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-N'-hydroxyhexanediamide
SMILESO=C(CCCCC(=O)N/N=C/c1cc(O)ccc1O)NO
InChIInChI=1S/C13H17N3O5/c17-10-5-6-11(18)9(7-10)8-14-15-12(19)3-1-2-4-13(20)16-21/h5-8,17-18,21H,1-4H2,(H,15,19)(H,16,20)/b14-8+
InChIKeyWOIVZIDUOPZNCP-RIYZIHGNSA-N
XLogP0.61
TPSA131.25 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 50.61
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-N'-hydroxyoctanediamide
CID 135922676
N,N'-bis[(2,4-dihydroxyphenyl)methylideneamino]octanediamide
CID 4632012
N,N'-bis[(2,4-dihydroxyphenyl)methylideneamino]dodecanediamide
CID 3615111
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]hexanamide
CID 3623985
N'-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]octanediamide
CID 135883129
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N'-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]butanediamide
CID 135458919
[(2,5-dihydroxyphenyl)methylideneamino]urea
CID 5052012
N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]decanediamide
CID 135555032
N-[(2-hydroxy-5-nitrosophenyl)methylideneamino]hexanamide
CID 175194656
N-[(E)-(2-bromophenyl)methylideneamino]-N'-hydroxyhexanediamide
CID 44506449
N,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]propanediamide
CID 135648812
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-hydrazinyl-4-oxobutanamide
CID 135777435

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-N'-hydroxyhexanediamide?
The IUPAC name of N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-N'-hydroxyhexanediamide (CID 135883068) is N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-N'-hydroxyhexanediamide.
What is the SMILES notation for N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-N'-hydroxyhexanediamide?
The canonical SMILES for N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-N'-hydroxyhexanediamide is O=C(CCCCC(=O)N/N=C/c1cc(O)ccc1O)NO.
What is the InChIKey of N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-N'-hydroxyhexanediamide?
The InChIKey is WOIVZIDUOPZNCP-RIYZIHGNSA-N. The full InChI is InChI=1S/C13H17N3O5/c17-10-5-6-11(18)9(7-10)8-14-15-12(19)3-1-2-4-13(20)16-21/h5-8,17-18,21H,1-4H2,(H,15,19)(H,16,20)/b14-8+.
What are the key properties of N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-N'-hydroxyhexanediamide?
N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-N'-hydroxyhexanediamide has a molecular weight of 295.29 g/mol, XLogP of 0.61, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-N'-hydroxyhexanediamide is sourced from PubChem (CID 135883068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).