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

C20H22N4O4 — CID 135420165

IUPACN,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]hexanediamide
SMILESO=C(CCCCC(=O)N/N=C/c1ccccc1O)N/N=C/c1ccccc1O
InChIInChI=1S/C20H22N4O4/c25-17-9-3-1-7-15(17)13-21-23-19(27)11-5-6-12-20(28)24-22-14-16-8-2-4-10-18(16)26/h1-4,7-10,13-14,25-26H,5-6,11-12H2,(H,23,27)(H,24,28)/b21-13+,22-14+
InChIKeyJLZRXDKIRXEOIZ-JFMUQQRKSA-N
MW382.42 g/mol
LogP2.26
Rot. Bonds9

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

N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]hexanediamide (PubChem CID 135420165) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]hexanediamide.

Molecular Properties

Compound NameN,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]hexanediamide
PubChem CID135420165
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC NameN,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]hexanediamide
SMILESO=C(CCCCC(=O)N/N=C/c1ccccc1O)N/N=C/c1ccccc1O
InChIInChI=1S/C20H22N4O4/c25-17-9-3-1-7-15(17)13-21-23-19(27)11-5-6-12-20(28)24-22-14-16-8-2-4-10-18(16)26/h1-4,7-10,13-14,25-26H,5-6,11-12H2,(H,23,27)(H,24,28)/b21-13+,22-14+
InChIKeyJLZRXDKIRXEOIZ-JFMUQQRKSA-N
XLogP2.26
TPSA123.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.26
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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Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]hexanediamide?
The IUPAC name of N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]hexanediamide (CID 135420165) is N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]hexanediamide.
What is the SMILES notation for N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]hexanediamide?
The canonical SMILES for N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]hexanediamide is O=C(CCCCC(=O)N/N=C/c1ccccc1O)N/N=C/c1ccccc1O.
What is the InChIKey of N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]hexanediamide?
The InChIKey is JLZRXDKIRXEOIZ-JFMUQQRKSA-N. The full InChI is InChI=1S/C20H22N4O4/c25-17-9-3-1-7-15(17)13-21-23-19(27)11-5-6-12-20(28)24-22-14-16-8-2-4-10-18(16)26/h1-4,7-10,13-14,25-26H,5-6,11-12H2,(H,23,27)(H,24,28)/b21-13+,22-14+.
What are the key properties of N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]hexanediamide?
N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]hexanediamide has a molecular weight of 382.42 g/mol, XLogP of 2.26, 9 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]hexanediamide is sourced from PubChem (CID 135420165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).