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

C15H21N3O5 — CID 135922676

IUPACN-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-N'-hydroxyoctanediamide
SMILESO=C(CCCCCCC(=O)N/N=C/c1cc(O)ccc1O)NO
InChIInChI=1S/C15H21N3O5/c19-12-7-8-13(20)11(9-12)10-16-17-14(21)5-3-1-2-4-6-15(22)18-23/h7-10,19-20,23H,1-6H2,(H,17,21)(H,18,22)/b16-10+
InChIKeyKFTHGEBNFBBERZ-MHWRWJLKSA-N
MW323.35 g/mol
LogP1.39
Rot. Bonds9

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

N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-N'-hydroxyoctanediamide (PubChem CID 135922676) has the molecular formula C15H21N3O5 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-N'-hydroxyoctanediamide.

Molecular Properties

Compound NameN-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-N'-hydroxyoctanediamide
PubChem CID135922676
Molecular FormulaC15H21N3O5
Molecular Weight323.35 g/mol
Exact Mass323.15
IUPAC NameN-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-N'-hydroxyoctanediamide
SMILESO=C(CCCCCCC(=O)N/N=C/c1cc(O)ccc1O)NO
InChIInChI=1S/C15H21N3O5/c19-12-7-8-13(20)11(9-12)10-16-17-14(21)5-3-1-2-4-6-15(22)18-23/h7-10,19-20,23H,1-6H2,(H,17,21)(H,18,22)/b16-10+
InChIKeyKFTHGEBNFBBERZ-MHWRWJLKSA-N
XLogP1.39
TPSA131.25 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 51.39
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'-hydroxyhexanediamide
CID 135883068
N,N'-bis[(2,4-dihydroxyphenyl)methylideneamino]octanediamide
CID 4632012
N,N'-bis[(2,4-dihydroxyphenyl)methylideneamino]dodecanediamide
CID 3615111
N'-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]octanediamide
CID 135883129
N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]decanediamide
CID 135555032
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]hexanamide
CID 3623985
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N'-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]butanediamide
CID 135458919
[(2,5-dihydroxyphenyl)methylideneamino]urea
CID 5052012
N-[(2-hydroxy-5-nitrosophenyl)methylideneamino]hexanamide
CID 175194656
N-[(2-hydroxy-5-methoxyphenyl)methylideneamino]hexadecanamide
CID 136806672
N-[(E)-(2-bromophenyl)methylideneamino]-N'-hydroxyhexanediamide
CID 44506449
N-[(2-hydroxyphenyl)methylideneamino]undecanamide
CID 5053269

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-N'-hydroxyoctanediamide?
The IUPAC name of N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-N'-hydroxyoctanediamide (CID 135922676) is N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-N'-hydroxyoctanediamide.
What is the SMILES notation for N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-N'-hydroxyoctanediamide?
The canonical SMILES for N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-N'-hydroxyoctanediamide is O=C(CCCCCCC(=O)N/N=C/c1cc(O)ccc1O)NO.
What is the InChIKey of N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-N'-hydroxyoctanediamide?
The InChIKey is KFTHGEBNFBBERZ-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H21N3O5/c19-12-7-8-13(20)11(9-12)10-16-17-14(21)5-3-1-2-4-6-15(22)18-23/h7-10,19-20,23H,1-6H2,(H,17,21)(H,18,22)/b16-10+.
What are the key properties of N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-N'-hydroxyoctanediamide?
N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-N'-hydroxyoctanediamide has a molecular weight of 323.35 g/mol, XLogP of 1.39, 9 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'-hydroxyoctanediamide is sourced from PubChem (CID 135922676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).