N'-hydroxy-N-[(E)-(2,4,6-trihydroxyphenyl)methylideneamino]octanediamide

C15H21N3O6 — CID 135922677

IUPACN'-hydroxy-N-[(E)-(2,4,6-trihydroxyphenyl)methylideneamino]octanediamide
SMILESO=C(CCCCCCC(=O)N/N=C/c1c(O)cc(O)cc1O)NO
InChIInChI=1S/C15H21N3O6/c19-10-7-12(20)11(13(21)8-10)9-16-17-14(22)5-3-1-2-4-6-15(23)18-24/h7-9,19-21,24H,1-6H2,(H,17,22)(H,18,23)/b16-9+
InChIKeyKJYNQOYUWKHQSC-CXUHLZMHSA-N
MW339.35 g/mol
LogP1.10
Rot. Bonds9

About N'-hydroxy-N-[(E)-(2,4,6-trihydroxyphenyl)methylideneamino]octanediamide

N'-hydroxy-N-[(E)-(2,4,6-trihydroxyphenyl)methylideneamino]octanediamide (PubChem CID 135922677) has the molecular formula C15H21N3O6 and a molecular weight of 339.35 g/mol. Its IUPAC name is N'-hydroxy-N-[(E)-(2,4,6-trihydroxyphenyl)methylideneamino]octanediamide.

Molecular Properties

Compound NameN'-hydroxy-N-[(E)-(2,4,6-trihydroxyphenyl)methylideneamino]octanediamide
PubChem CID135922677
Molecular FormulaC15H21N3O6
Molecular Weight339.35 g/mol
Exact Mass339.14
IUPAC NameN'-hydroxy-N-[(E)-(2,4,6-trihydroxyphenyl)methylideneamino]octanediamide
SMILESO=C(CCCCCCC(=O)N/N=C/c1c(O)cc(O)cc1O)NO
InChIInChI=1S/C15H21N3O6/c19-10-7-12(20)11(13(21)8-10)9-16-17-14(22)5-3-1-2-4-6-15(23)18-24/h7-9,19-21,24H,1-6H2,(H,17,22)(H,18,23)/b16-9+
InChIKeyKJYNQOYUWKHQSC-CXUHLZMHSA-N
XLogP1.10
TPSA151.48 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.35
LogP ≤ 51.10
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N'-hydroxy-N-[(E)-(2,4,6-trihydroxyphenyl)methylideneamino]octanediamide with MolForge

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Related Compounds

N'-(2,4-dihydroxybenzylidene)cyclopropanecarbohydrazide
CID 135643065
N-[1-(2,4-Dihydroxy-phenyl)-meth-(E)-ylidene-hydrazinocarbonylmethyl]-3-phenyl-propionamide
CID 135650458
N'-[1-(2,4-dihydroxyphenyl)ethylidene]octanohydrazide
CID 135401351
5-(4-fluorophenyl)-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]pentanamide
CID 137283387
2-phenyl-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]acetamide
CID 137283404
3-phenyl-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]propanamide
CID 137290226
4-(4-hydroxyphenyl)-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]butanamide
CID 137290274
4-phenyl-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]butanamide
CID 137303077
5-phenyl-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]pentanamide
CID 137304401
4-(4-fluorophenyl)-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]butanamide
CID 137304478
3-(4-hydroxyphenyl)-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]propanamide
CID 137316490
Benzylidenehydrazine derivative, 8
CID 42618294

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-N-[(E)-(2,4,6-trihydroxyphenyl)methylideneamino]octanediamide?
The IUPAC name of N'-hydroxy-N-[(E)-(2,4,6-trihydroxyphenyl)methylideneamino]octanediamide (CID 135922677) is N'-hydroxy-N-[(E)-(2,4,6-trihydroxyphenyl)methylideneamino]octanediamide.
What is the SMILES notation for N'-hydroxy-N-[(E)-(2,4,6-trihydroxyphenyl)methylideneamino]octanediamide?
The canonical SMILES for N'-hydroxy-N-[(E)-(2,4,6-trihydroxyphenyl)methylideneamino]octanediamide is O=C(CCCCCCC(=O)N/N=C/c1c(O)cc(O)cc1O)NO.
What is the InChIKey of N'-hydroxy-N-[(E)-(2,4,6-trihydroxyphenyl)methylideneamino]octanediamide?
The InChIKey is KJYNQOYUWKHQSC-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H21N3O6/c19-10-7-12(20)11(13(21)8-10)9-16-17-14(22)5-3-1-2-4-6-15(23)18-24/h7-9,19-21,24H,1-6H2,(H,17,22)(H,18,23)/b16-9+.
What are the key properties of N'-hydroxy-N-[(E)-(2,4,6-trihydroxyphenyl)methylideneamino]octanediamide?
N'-hydroxy-N-[(E)-(2,4,6-trihydroxyphenyl)methylideneamino]octanediamide has a molecular weight of 339.35 g/mol, XLogP of 1.10, 9 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-N-[(E)-(2,4,6-trihydroxyphenyl)methylideneamino]octanediamide is sourced from PubChem (CID 135922677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).