N-[6-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide

C20H23N3O3 — CID 135517017

IUPACN-[6-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide
SMILESO=C(CCCCCNC(=O)c1ccccc1)N/N=C/c1ccccc1O
InChIInChI=1S/C20H23N3O3/c24-18-12-7-6-11-17(18)15-22-23-19(25)13-5-2-8-14-21-20(26)16-9-3-1-4-10-16/h1,3-4,6-7,9-12,15,24H,2,5,8,13-14H2,(H,21,26)(H,23,25)/b22-15+
InChIKeyAERCUGKTMMBTHF-PXLXIMEGSA-N
MW353.42 g/mol
LogP2.83
Rot. Bonds9

About N-[6-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide

N-[6-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide (PubChem CID 135517017) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[6-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide.

Molecular Properties

Compound NameN-[6-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide
PubChem CID135517017
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-[6-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide
SMILESO=C(CCCCCNC(=O)c1ccccc1)N/N=C/c1ccccc1O
InChIInChI=1S/C20H23N3O3/c24-18-12-7-6-11-17(18)15-22-23-19(25)13-5-2-8-14-21-20(26)16-9-3-1-4-10-16/h1,3-4,6-7,9-12,15,24H,2,5,8,13-14H2,(H,21,26)(H,23,25)/b22-15+
InChIKeyAERCUGKTMMBTHF-PXLXIMEGSA-N
XLogP2.83
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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
N,N'-1,2-Ethanediylbis(2-hydroxybenzamide)
CID 95934
Benzamide, N,N'-1,6-hexanediylbis(2-hydroxy-
CID 209651
4-Hydroxybenzoic (2-hydroxybenzylidene)hydrazide
CID 135778696
(2-Hydroxybenzylidene)salicylohydrazide
CID 135484660
Nsc204792
CID 135459102
2-Hydroxy-N'-[(E)-(3-hydroxyphenyl)methylidene]benzohydrazide
CID 6893640
N,N'-1,3-Propanediylbis(2-hydroxybenzamide)
CID 212503
N'-(1-Benzyl-4-piperidinylidene)-2-hydroxybenzohydrazide
CID 773952
Salicylic (4-hydroxybenzylidene)hydrazide
CID 135504499
(E)-N'-(4-hydroxybenzylidene)benzohydrazide
CID 135459360
2-Hydroxy-N-(3-phenyl-propyl)-benzamide
CID 2287872

Frequently Asked Questions

What is the IUPAC name of N-[6-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide?
The IUPAC name of N-[6-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide (CID 135517017) is N-[6-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide.
What is the SMILES notation for N-[6-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide?
The canonical SMILES for N-[6-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide is O=C(CCCCCNC(=O)c1ccccc1)N/N=C/c1ccccc1O.
What is the InChIKey of N-[6-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide?
The InChIKey is AERCUGKTMMBTHF-PXLXIMEGSA-N. The full InChI is InChI=1S/C20H23N3O3/c24-18-12-7-6-11-17(18)15-22-23-19(25)13-5-2-8-14-21-20(26)16-9-3-1-4-10-16/h1,3-4,6-7,9-12,15,24H,2,5,8,13-14H2,(H,21,26)(H,23,25)/b22-15+.
What are the key properties of N-[6-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide?
N-[6-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide has a molecular weight of 353.42 g/mol, XLogP of 2.83, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide is sourced from PubChem (CID 135517017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).