N-[6-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide

C20H23N3O4 — CID 135517038

IUPACN-[6-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide
SMILESO=C(CCCCCNC(=O)c1ccccc1)N/N=C/c1ccc(O)cc1O
InChIInChI=1S/C20H23N3O4/c24-17-11-10-16(18(25)13-17)14-22-23-19(26)9-5-2-6-12-21-20(27)15-7-3-1-4-8-15/h1,3-4,7-8,10-11,13-14,24-25H,2,5-6,9,12H2,(H,21,27)(H,23,26)/b22-14+
InChIKeyKUXVXHJYHFALKB-HYARGMPZSA-N
MW369.42 g/mol
LogP2.54
Rot. Bonds9

About N-[6-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide

N-[6-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide (PubChem CID 135517038) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-[6-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide.

Molecular Properties

Compound NameN-[6-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide
PubChem CID135517038
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC NameN-[6-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide
SMILESO=C(CCCCCNC(=O)c1ccccc1)N/N=C/c1ccc(O)cc1O
InChIInChI=1S/C20H23N3O4/c24-17-11-10-16(18(25)13-17)14-22-23-19(26)9-5-2-6-12-21-20(27)15-7-3-1-4-8-15/h1,3-4,7-8,10-11,13-14,24-25H,2,5-6,9,12H2,(H,21,27)(H,23,26)/b22-14+
InChIKeyKUXVXHJYHFALKB-HYARGMPZSA-N
XLogP2.54
TPSA111.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

N-(4-{[2-(2,4-dihydroxybenzylidene)hydrazino]carbonyl}phenyl)cyclohexanecarboxamide
CID 135418715
N-[1-(2,4-Dihydroxy-phenyl)-meth-(E)-ylidene-hydrazinocarbonylmethyl]-3-phenyl-propionamide
CID 135650458
N-benzyl-4-[2-(2-hydroxybenzylidene)hydrazino]-4-oxobutanamide
CID 135401421
(E)-N'-(2,3,4-Trihydroxybenzylidene)benzohydrazide
CID 135433444
N'-[(E)-(2,4-dihydroxyphenyl)methylidene]-2-hydroxybenzohydrazide
CID 135459120
Pandacostat
CID 135928012
4-hydroxy-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]benzamide
CID 137211259
4-fluoro-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]benzamide
CID 137290302
Salicylaldehyde Benzoyl Hydrazone
CID 135400584
4-Chloro-N'-(2,4-dihydroxybenzylidene)benzohydrazide
CID 135403186
4-Hydroxybenzoic (2,4-dihydroxybenzylidene)hydrazide
CID 135452452
Benzoic (2,4-dihydroxybenzylidene)hydrazide
CID 135458840

Frequently Asked Questions

What is the IUPAC name of N-[6-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide?
The IUPAC name of N-[6-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide (CID 135517038) is N-[6-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide.
What is the SMILES notation for N-[6-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide?
The canonical SMILES for N-[6-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide is O=C(CCCCCNC(=O)c1ccccc1)N/N=C/c1ccc(O)cc1O.
What is the InChIKey of N-[6-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide?
The InChIKey is KUXVXHJYHFALKB-HYARGMPZSA-N. The full InChI is InChI=1S/C20H23N3O4/c24-17-11-10-16(18(25)13-17)14-22-23-19(26)9-5-2-6-12-21-20(27)15-7-3-1-4-8-15/h1,3-4,7-8,10-11,13-14,24-25H,2,5-6,9,12H2,(H,21,27)(H,23,26)/b22-14+.
What are the key properties of N-[6-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide?
N-[6-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide has a molecular weight of 369.42 g/mol, XLogP of 2.54, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide is sourced from PubChem (CID 135517038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).