N,N'-bis[(2,4-dihydroxyphenyl)methylideneamino]octanediamide

C22H26N4O6 — CID 4632012

IUPACN,N'-bis[(2,4-dihydroxyphenyl)methylideneamino]octanediamide
SMILESO=C(CCCCCCC(=O)NN=Cc1ccc(O)cc1O)NN=Cc1ccc(O)cc1O
InChIInChI=1S/C22H26N4O6/c27-17-9-7-15(19(29)11-17)13-23-25-21(31)5-3-1-2-4-6-22(32)26-24-14-16-8-10-18(28)12-20(16)30/h7-14,27-30H,1-6H2,(H,25,31)(H,26,32)
InChIKeyLXYNRMXLWZOADB-UHFFFAOYSA-N
MW442.47 g/mol
LogP2.45
Rot. Bonds11

About N,N'-bis[(2,4-dihydroxyphenyl)methylideneamino]octanediamide

N,N'-bis[(2,4-dihydroxyphenyl)methylideneamino]octanediamide (PubChem CID 4632012) has the molecular formula C22H26N4O6 and a molecular weight of 442.47 g/mol. Its IUPAC name is N,N'-bis[(2,4-dihydroxyphenyl)methylideneamino]octanediamide.

Molecular Properties

Compound NameN,N'-bis[(2,4-dihydroxyphenyl)methylideneamino]octanediamide
PubChem CID4632012
Molecular FormulaC22H26N4O6
Molecular Weight442.47 g/mol
Exact Mass442.19
IUPAC NameN,N'-bis[(2,4-dihydroxyphenyl)methylideneamino]octanediamide
SMILESO=C(CCCCCCC(=O)NN=Cc1ccc(O)cc1O)NN=Cc1ccc(O)cc1O
InChIInChI=1S/C22H26N4O6/c27-17-9-7-15(19(29)11-17)13-23-25-21(31)5-3-1-2-4-6-22(32)26-24-14-16-8-10-18(28)12-20(16)30/h7-14,27-30H,1-6H2,(H,25,31)(H,26,32)
InChIKeyLXYNRMXLWZOADB-UHFFFAOYSA-N
XLogP2.45
TPSA163.84 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.47
LogP ≤ 52.45
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

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

Analyze N,N'-bis[(2,4-dihydroxyphenyl)methylideneamino]octanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N'-bis[(2,4-dihydroxyphenyl)methylideneamino]dodecanediamide
CID 3615111
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N'-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]butanediamide
CID 135458919
N,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]propanediamide
CID 135648812
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-hydrazinyl-4-oxobutanamide
CID 135777435
N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-N'-hydroxyoctanediamide
CID 135922676
N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]decanediamide
CID 135555032
N,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]oxamide
CID 135576680
N-(4-chlorophenyl)-N'-[(2,4-dihydroxyphenyl)methylideneamino]butanediamide
CID 2293021
[2-[(2Z)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium
CID 136700894
N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-N'-hydroxyhexanediamide
CID 135883068
8-[(2E)-2-[(2-hydroxy-4-methoxyphenyl)methylidene]hydrazinyl]-8-oxooctanoic acid
CID 135665742
N'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N-(2,5-dimethylphenyl)butanediamide
CID 135560200

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(2,4-dihydroxyphenyl)methylideneamino]octanediamide?
The IUPAC name of N,N'-bis[(2,4-dihydroxyphenyl)methylideneamino]octanediamide (CID 4632012) is N,N'-bis[(2,4-dihydroxyphenyl)methylideneamino]octanediamide.
What is the SMILES notation for N,N'-bis[(2,4-dihydroxyphenyl)methylideneamino]octanediamide?
The canonical SMILES for N,N'-bis[(2,4-dihydroxyphenyl)methylideneamino]octanediamide is O=C(CCCCCCC(=O)NN=Cc1ccc(O)cc1O)NN=Cc1ccc(O)cc1O.
What is the InChIKey of N,N'-bis[(2,4-dihydroxyphenyl)methylideneamino]octanediamide?
The InChIKey is LXYNRMXLWZOADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O6/c27-17-9-7-15(19(29)11-17)13-23-25-21(31)5-3-1-2-4-6-22(32)26-24-14-16-8-10-18(28)12-20(16)30/h7-14,27-30H,1-6H2,(H,25,31)(H,26,32).
What are the key properties of N,N'-bis[(2,4-dihydroxyphenyl)methylideneamino]octanediamide?
N,N'-bis[(2,4-dihydroxyphenyl)methylideneamino]octanediamide has a molecular weight of 442.47 g/mol, XLogP of 2.45, 11 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(2,4-dihydroxyphenyl)methylideneamino]octanediamide is sourced from PubChem (CID 4632012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).