N-[6-[(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-6-oxohexyl]benzamide

C21H25N3O3 — CID 135498008

IUPACN-[6-[(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-6-oxohexyl]benzamide
SMILESC/C(=N\NC(=O)CCCCCNC(=O)c1ccccc1)c1ccccc1O
InChIInChI=1S/C21H25N3O3/c1-16(18-12-7-8-13-19(18)25)23-24-20(26)14-6-3-9-15-22-21(27)17-10-4-2-5-11-17/h2,4-5,7-8,10-13,25H,3,6,9,14-15H2,1H3,(H,22,27)(H,24,26)/b23-16+
InChIKeyUULBVFIJAPXLBJ-XQNSMLJCSA-N
MW367.45 g/mol
LogP3.22
Rot. Bonds9

About N-[6-[(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-6-oxohexyl]benzamide

N-[6-[(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-6-oxohexyl]benzamide (PubChem CID 135498008) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[6-[(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-6-oxohexyl]benzamide.

Molecular Properties

Compound NameN-[6-[(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-6-oxohexyl]benzamide
PubChem CID135498008
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-[6-[(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-6-oxohexyl]benzamide
SMILESC/C(=N\NC(=O)CCCCCNC(=O)c1ccccc1)c1ccccc1O
InChIInChI=1S/C21H25N3O3/c1-16(18-12-7-8-13-19(18)25)23-24-20(26)14-6-3-9-15-22-21(27)17-10-4-2-5-11-17/h2,4-5,7-8,10-13,25H,3,6,9,14-15H2,1H3,(H,22,27)(H,24,26)/b23-16+
InChIKeyUULBVFIJAPXLBJ-XQNSMLJCSA-N
XLogP3.22
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.22
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'}

Analyze N-[6-[(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-6-oxohexyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-hydroxy-3,5-dimethylphenyl)-2-methylphthalazin-1(2H)-one
CID 624420
Benzamide, N,N'-1,6-hexanediylbis(2-hydroxy-
CID 209651
Nsc204792
CID 135459102
(3-ethyl-5-hydroxy-5-phenyl-4H-pyrazol-1-yl)-(2-hydroxyphenyl)methanone
CID 3098837
N'-(1-Benzyl-4-piperidinylidene)-2-hydroxybenzohydrazide
CID 773952
2-Hydroxy-N-(3-phenyl-propyl)-benzamide
CID 2287872
N-benzyl-4-[2-(2-hydroxybenzylidene)hydrazino]-4-oxobutanamide
CID 135401421
Lsd1-IN-30
CID 135442596
(4E)-2-(2-hydroxybenzoyl)-4-[(2-hydroxyphenyl)methylene]-5-methyl-pyrazol-3-one
CID 135499334
N-[bis(2-hydroxyphenyl)methylideneamino]benzamide
CID 136035723
(3-(2-hydroxyphenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)(phenyl)methanone
CID 2954637
Salicylaldehyde Benzoyl Hydrazone
CID 135400584

Frequently Asked Questions

What is the IUPAC name of N-[6-[(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-6-oxohexyl]benzamide?
The IUPAC name of N-[6-[(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-6-oxohexyl]benzamide (CID 135498008) is N-[6-[(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-6-oxohexyl]benzamide.
What is the SMILES notation for N-[6-[(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-6-oxohexyl]benzamide?
The canonical SMILES for N-[6-[(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-6-oxohexyl]benzamide is C/C(=N\NC(=O)CCCCCNC(=O)c1ccccc1)c1ccccc1O.
What is the InChIKey of N-[6-[(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-6-oxohexyl]benzamide?
The InChIKey is UULBVFIJAPXLBJ-XQNSMLJCSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-16(18-12-7-8-13-19(18)25)23-24-20(26)14-6-3-9-15-22-21(27)17-10-4-2-5-11-17/h2,4-5,7-8,10-13,25H,3,6,9,14-15H2,1H3,(H,22,27)(H,24,26)/b23-16+.
What are the key properties of N-[6-[(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-6-oxohexyl]benzamide?
N-[6-[(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-6-oxohexyl]benzamide has a molecular weight of 367.45 g/mol, XLogP of 3.22, 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-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-6-oxohexyl]benzamide is sourced from PubChem (CID 135498008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).