N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]octanediamide

C22H26N4O4 — CID 135472413

IUPACN,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]octanediamide
SMILESO=C(CCCCCCC(=O)N/N=C/c1ccccc1O)N/N=C/c1ccccc1O
InChIInChI=1S/C22H26N4O4/c27-19-11-7-5-9-17(19)15-23-25-21(29)13-3-1-2-4-14-22(30)26-24-16-18-10-6-8-12-20(18)28/h5-12,15-16,27-28H,1-4,13-14H2,(H,25,29)(H,26,30)/b23-15+,24-16+
InChIKeyREOYKGWNUWALSU-DFEHQXHXSA-N
MW410.47 g/mol
LogP3.04
Rot. Bonds11

About N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]octanediamide

N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]octanediamide (PubChem CID 135472413) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]octanediamide.

Molecular Properties

Compound NameN,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]octanediamide
PubChem CID135472413
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC NameN,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]octanediamide
SMILESO=C(CCCCCCC(=O)N/N=C/c1ccccc1O)N/N=C/c1ccccc1O
InChIInChI=1S/C22H26N4O4/c27-19-11-7-5-9-17(19)15-23-25-21(29)13-3-1-2-4-14-22(30)26-24-16-18-10-6-8-12-20(18)28/h5-12,15-16,27-28H,1-4,13-14H2,(H,25,29)(H,26,30)/b23-15+,24-16+
InChIKeyREOYKGWNUWALSU-DFEHQXHXSA-N
XLogP3.04
TPSA123.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 53.04
H-Bond Donors ≤ 54
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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Chel 180
CID 135445765
(2-Hydroxybenzylidene)salicylohydrazide
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Nsc204792
CID 135459102
N'-(3-hydroxybenzylidene)-3-phenylpropanohydrazide
CID 5337816
Mls002667267
CID 241689
2-hydroxy-N-[(2-hydroxyphenyl)methylideneamino]-2,2-diphenylacetamide
CID 267472
(4-Chloro-phenyl)-acetic acid (2-hydroxy-3-methyl-benzylidene)-hydrazide
CID 135531710
N'-[(E)-(2-hydroxyphenyl)methylidene]cyclopentanecarbohydrazide
CID 135647875
(2E)-2-benzylidene-4-hydroxy-N'-[(E)-(2-hydroxyphenyl)methylidene]butanehydrazide
CID 135521411
1,5-Bis(salicylidene)carbohydrazide
CID 96015
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CID 137290226

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]octanediamide?
The IUPAC name of N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]octanediamide (CID 135472413) is N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]octanediamide.
What is the SMILES notation for N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]octanediamide?
The canonical SMILES for N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]octanediamide is O=C(CCCCCCC(=O)N/N=C/c1ccccc1O)N/N=C/c1ccccc1O.
What is the InChIKey of N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]octanediamide?
The InChIKey is REOYKGWNUWALSU-DFEHQXHXSA-N. The full InChI is InChI=1S/C22H26N4O4/c27-19-11-7-5-9-17(19)15-23-25-21(29)13-3-1-2-4-14-22(30)26-24-16-18-10-6-8-12-20(18)28/h5-12,15-16,27-28H,1-4,13-14H2,(H,25,29)(H,26,30)/b23-15+,24-16+.
What are the key properties of N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]octanediamide?
N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]octanediamide has a molecular weight of 410.47 g/mol, XLogP of 3.04, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]octanediamide is sourced from PubChem (CID 135472413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).