4-hydroxy-N'-[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]benzohydrazide

C17H16N2O3 — CID 6298341

IUPAC4-hydroxy-N'-[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]benzohydrazide
SMILESCc1ccc(C(=O)/C=C/NNC(=O)c2ccc(O)cc2)cc1
InChIInChI=1S/C17H16N2O3/c1-12-2-4-13(5-3-12)16(21)10-11-18-19-17(22)14-6-8-15(20)9-7-14/h2-11,18,20H,1H3,(H,19,22)/b11-10+
InChIKeyYFQHGOJAWALGLN-ZHACJKMWSA-N
MW296.33 g/mol
LogP2.33
Rot. Bonds5

About 4-hydroxy-N'-[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]benzohydrazide

4-hydroxy-N'-[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]benzohydrazide (PubChem CID 6298341) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 4-hydroxy-N'-[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]benzohydrazide.

Molecular Properties

Compound Name4-hydroxy-N'-[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]benzohydrazide
PubChem CID6298341
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name4-hydroxy-N'-[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]benzohydrazide
SMILESCc1ccc(C(=O)/C=C/NNC(=O)c2ccc(O)cc2)cc1
InChIInChI=1S/C17H16N2O3/c1-12-2-4-13(5-3-12)16(21)10-11-18-19-17(22)14-6-8-15(20)9-7-14/h2-11,18,20H,1H3,(H,19,22)/b11-10+
InChIKeyYFQHGOJAWALGLN-ZHACJKMWSA-N
XLogP2.33
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N'-[(Z)-3-(4-methylphenyl)-3-oxoprop-1-enyl]benzohydrazide
CID 5370777
4-methyl-N'-[3-(4-methylphenyl)-3-oxoprop-1-enyl]benzohydrazide
CID 576888
(E)-3-(4-methylanilino)-1-(4-methylphenyl)prop-2-en-1-one
CID 2267437
methyl 2-[[(Z)-3-(4-methylphenyl)-3-oxoprop-1-enyl]amino]acetate
CID 18531919
(E)-1-(4-tert-butylphenyl)-3-(4-methylanilino)prop-2-en-1-one
CID 139030212
(E)-1-(4-chlorophenyl)-3-(4-methylanilino)prop-2-en-1-one
CID 2290968
4-hydroxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 789070
4-chloro-N'-[(E)-3-(3-methoxyphenyl)-3-oxoprop-1-enyl]benzohydrazide
CID 6033190
(E)-1-(4-methylphenyl)-3-[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]sulfanylprop-2-en-1-one
CID 5370790
3-(4-methylanilino)-1-(4-phenylphenyl)prop-2-en-1-one
CID 2917270
N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-4-methylbenzamide
CID 136661545
4-methylphenol
CID 70549076

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N'-[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]benzohydrazide?
The IUPAC name of 4-hydroxy-N'-[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]benzohydrazide (CID 6298341) is 4-hydroxy-N'-[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]benzohydrazide.
What is the SMILES notation for 4-hydroxy-N'-[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]benzohydrazide?
The canonical SMILES for 4-hydroxy-N'-[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]benzohydrazide is Cc1ccc(C(=O)/C=C/NNC(=O)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-hydroxy-N'-[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]benzohydrazide?
The InChIKey is YFQHGOJAWALGLN-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-12-2-4-13(5-3-12)16(21)10-11-18-19-17(22)14-6-8-15(20)9-7-14/h2-11,18,20H,1H3,(H,19,22)/b11-10+.
What are the key properties of 4-hydroxy-N'-[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]benzohydrazide?
4-hydroxy-N'-[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]benzohydrazide has a molecular weight of 296.33 g/mol, XLogP of 2.33, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N'-[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]benzohydrazide is sourced from PubChem (CID 6298341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).