N-[1-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide

C17H17N3O3 — CID 135472757

IUPACN-[1-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide
SMILESCC(NC(=O)c1ccccc1)C(=O)N/N=C/c1ccc(O)cc1
InChIInChI=1S/C17H17N3O3/c1-12(19-17(23)14-5-3-2-4-6-14)16(22)20-18-11-13-7-9-15(21)10-8-13/h2-12,21H,1H3,(H,19,23)(H,20,22)/b18-11+
InChIKeyBUYOQGRSIDBFIM-WOJGMQOQSA-N
MW311.34 g/mol
LogP1.66
Rot. Bonds5

About N-[1-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide

N-[1-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide (PubChem CID 135472757) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-[1-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide
PubChem CID135472757
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC NameN-[1-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide
SMILESCC(NC(=O)c1ccccc1)C(=O)N/N=C/c1ccc(O)cc1
InChIInChI=1S/C17H17N3O3/c1-12(19-17(23)14-5-3-2-4-6-14)16(22)20-18-11-13-7-9-15(21)10-8-13/h2-12,21H,1H3,(H,19,23)(H,20,22)/b18-11+
InChIKeyBUYOQGRSIDBFIM-WOJGMQOQSA-N
XLogP1.66
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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

(E)-N'-(4-hydroxybenzylidene)benzohydrazide
CID 135459360
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide
CID 136510216
2-(4-benzoylpiperazin-1-yl)-N-[(E)-(5-fluoro-2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide
CID 136510220
N-(2-(2-Benzylidenehydrazino)-2-oxoethyl)-4-methoxybenzamide
CID 9636964
4-Hydroxy-N'-(4-hydroxybenzylidene)benzohydrazide
CID 135472594
N-[1-[8-(3-Amino-propylamino)-octylcarbamoyl]-2-(4-hydroxy-phenyl)-ethyl]-benzamide
CID 44369293
N-[(1S)-2-[(2E)-2-benzylidenehydrazino]-1-(hydroxymethyl)-2-oxo-ethyl]-4-methoxy-benzamide
CID 44592074
N-[(2S)-1-[(2E)-2-benzylidenehydrazinyl]-1-oxo-3-phenylpropan-2-yl]-4-methoxybenzamide
CID 44592075
N-[(2S)-1-[(2E)-2-benzylidenehydrazinyl]-3-hydroxy-1-oxobutan-2-yl]-4-methoxybenzamide
CID 46229012
4-(azidomethyl)-N-[(2S)-1-(cyanomethylamino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]benzamide
CID 118722548
4-(azidomethyl)-N-[(2S)-1-(cyanomethylamino)-4-(4-hydroxyphenyl)-1-oxobutan-2-yl]benzamide
CID 118722550
N-{2-[2-(5-bromo-2-hydroxybenzylidene)hydrazino]-2-oxoethyl}benzamide
CID 135401388

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide?
The IUPAC name of N-[1-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide (CID 135472757) is N-[1-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for N-[1-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for N-[1-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide is CC(NC(=O)c1ccccc1)C(=O)N/N=C/c1ccc(O)cc1.
What is the InChIKey of N-[1-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide?
The InChIKey is BUYOQGRSIDBFIM-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-12(19-17(23)14-5-3-2-4-6-14)16(22)20-18-11-13-7-9-15(21)10-8-13/h2-12,21H,1H3,(H,19,23)(H,20,22)/b18-11+.
What are the key properties of N-[1-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide?
N-[1-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide has a molecular weight of 311.34 g/mol, XLogP of 1.66, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 135472757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).