N'-[(E)-(5-hydroxy-2-nitrophenyl)methylideneamino]-N-(2-hydroxyphenyl)octanediamide

C21H24N4O6 — CID 44507727

IUPACN'-[(E)-(5-hydroxy-2-nitrophenyl)methylideneamino]-N-(2-hydroxyphenyl)octanediamide
SMILESO=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1cc(O)ccc1[N+](=O)[O-]
InChIInChI=1S/C21H24N4O6/c26-16-11-12-18(25(30)31)15(13-16)14-22-24-21(29)10-4-2-1-3-9-20(28)23-17-7-5-6-8-19(17)27/h5-8,11-14,26-27H,1-4,9-10H2,(H,23,28)(H,24,29)/b22-14+
InChIKeyQRQVDKXCFNLALA-HYARGMPZSA-N
MW428.45 g/mol
LogP3.44
Rot. Bonds11

About N'-[(E)-(5-hydroxy-2-nitrophenyl)methylideneamino]-N-(2-hydroxyphenyl)octanediamide

N'-[(E)-(5-hydroxy-2-nitrophenyl)methylideneamino]-N-(2-hydroxyphenyl)octanediamide (PubChem CID 44507727) has the molecular formula C21H24N4O6 and a molecular weight of 428.45 g/mol. Its IUPAC name is N'-[(E)-(5-hydroxy-2-nitrophenyl)methylideneamino]-N-(2-hydroxyphenyl)octanediamide.

Molecular Properties

Compound NameN'-[(E)-(5-hydroxy-2-nitrophenyl)methylideneamino]-N-(2-hydroxyphenyl)octanediamide
PubChem CID44507727
Molecular FormulaC21H24N4O6
Molecular Weight428.45 g/mol
Exact Mass428.17
IUPAC NameN'-[(E)-(5-hydroxy-2-nitrophenyl)methylideneamino]-N-(2-hydroxyphenyl)octanediamide
SMILESO=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1cc(O)ccc1[N+](=O)[O-]
InChIInChI=1S/C21H24N4O6/c26-16-11-12-18(25(30)31)15(13-16)14-22-24-21(29)10-4-2-1-3-9-20(28)23-17-7-5-6-8-19(17)27/h5-8,11-14,26-27H,1-4,9-10H2,(H,23,28)(H,24,29)/b22-14+
InChIKeyQRQVDKXCFNLALA-HYARGMPZSA-N
XLogP3.44
TPSA154.16 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 53.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(E)-benzylideneamino]-N-(2-hydroxyphenyl)heptanediamide
CID 23642529
2-hydroxy-N-[(Z)-(5-hydroxy-2-nitrophenyl)methylideneamino]benzamide
CID 7373636
N-(2-hydroxyphenyl)-N'-[(E)-(2-methylphenyl)methylideneamino]octanediamide
CID 44507510
N,N'-bis[(2,4-dihydroxyphenyl)methylideneamino]dodecanediamide
CID 3615111
N,N'-bis[(2,4-dihydroxyphenyl)methylideneamino]octanediamide
CID 4632012
2-(2-cyanophenoxy)-N-[(5-hydroxy-2-nitrophenyl)methylideneamino]acetamide
CID 4079853
N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-N'-hydroxyoctanediamide
CID 135922676
N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]decanediamide
CID 135555032
N'-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-N-(2-hydroxyphenyl)heptanediamide
CID 44506961
2-(3-chlorophenoxy)-N-[(5-hydroxy-2-nitrophenyl)methylideneamino]acetamide
CID 5084295
N'-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-N-(2-hydroxyphenyl)heptanediamide
CID 44507470
N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-N'-hydroxyhexanediamide
CID 135883068

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(5-hydroxy-2-nitrophenyl)methylideneamino]-N-(2-hydroxyphenyl)octanediamide?
The IUPAC name of N'-[(E)-(5-hydroxy-2-nitrophenyl)methylideneamino]-N-(2-hydroxyphenyl)octanediamide (CID 44507727) is N'-[(E)-(5-hydroxy-2-nitrophenyl)methylideneamino]-N-(2-hydroxyphenyl)octanediamide.
What is the SMILES notation for N'-[(E)-(5-hydroxy-2-nitrophenyl)methylideneamino]-N-(2-hydroxyphenyl)octanediamide?
The canonical SMILES for N'-[(E)-(5-hydroxy-2-nitrophenyl)methylideneamino]-N-(2-hydroxyphenyl)octanediamide is O=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1cc(O)ccc1[N+](=O)[O-].
What is the InChIKey of N'-[(E)-(5-hydroxy-2-nitrophenyl)methylideneamino]-N-(2-hydroxyphenyl)octanediamide?
The InChIKey is QRQVDKXCFNLALA-HYARGMPZSA-N. The full InChI is InChI=1S/C21H24N4O6/c26-16-11-12-18(25(30)31)15(13-16)14-22-24-21(29)10-4-2-1-3-9-20(28)23-17-7-5-6-8-19(17)27/h5-8,11-14,26-27H,1-4,9-10H2,(H,23,28)(H,24,29)/b22-14+.
What are the key properties of N'-[(E)-(5-hydroxy-2-nitrophenyl)methylideneamino]-N-(2-hydroxyphenyl)octanediamide?
N'-[(E)-(5-hydroxy-2-nitrophenyl)methylideneamino]-N-(2-hydroxyphenyl)octanediamide has a molecular weight of 428.45 g/mol, XLogP of 3.44, 11 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(5-hydroxy-2-nitrophenyl)methylideneamino]-N-(2-hydroxyphenyl)octanediamide is sourced from PubChem (CID 44507727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).