2-hydroxy-N'-[(E)-4-(3-methoxyphenyl)-4-oxobut-2-en-2-yl]benzohydrazide

C18H18N2O4 — CID 51056581

IUPAC2-hydroxy-N'-[(E)-4-(3-methoxyphenyl)-4-oxobut-2-en-2-yl]benzohydrazide
SMILESCOc1cccc(C(=O)/C=C(\C)NNC(=O)c2ccccc2O)c1
InChIInChI=1S/C18H18N2O4/c1-12(10-17(22)13-6-5-7-14(11-13)24-2)19-20-18(23)15-8-3-4-9-16(15)21/h3-11,19,21H,1-2H3,(H,20,23)/b12-10+
InChIKeyMCYIQRGNQIXQJU-ZRDIBKRKSA-N
MW326.35 g/mol
LogP2.42
Rot. Bonds6

About 2-hydroxy-N'-[(E)-4-(3-methoxyphenyl)-4-oxobut-2-en-2-yl]benzohydrazide

2-hydroxy-N'-[(E)-4-(3-methoxyphenyl)-4-oxobut-2-en-2-yl]benzohydrazide (PubChem CID 51056581) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 2-hydroxy-N'-[(E)-4-(3-methoxyphenyl)-4-oxobut-2-en-2-yl]benzohydrazide.

Molecular Properties

Compound Name2-hydroxy-N'-[(E)-4-(3-methoxyphenyl)-4-oxobut-2-en-2-yl]benzohydrazide
PubChem CID51056581
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name2-hydroxy-N'-[(E)-4-(3-methoxyphenyl)-4-oxobut-2-en-2-yl]benzohydrazide
SMILESCOc1cccc(C(=O)/C=C(\C)NNC(=O)c2ccccc2O)c1
InChIInChI=1S/C18H18N2O4/c1-12(10-17(22)13-6-5-7-14(11-13)24-2)19-20-18(23)15-8-3-4-9-16(15)21/h3-11,19,21H,1-2H3,(H,20,23)/b12-10+
InChIKeyMCYIQRGNQIXQJU-ZRDIBKRKSA-N
XLogP2.42
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[[4-(3-methoxyphenyl)-4-oxobut-2-en-2-yl]amino]benzoic acid
CID 977756
2-bromo-N'-(2-hydroxybenzoyl)-5-methoxybenzohydrazide
CID 7661752
(E)-3-(3,4-difluoroanilino)-1-(3-methoxyphenyl)but-2-en-1-one
CID 5428617
N'-(5,5,6,6,7,7,7-heptafluoro-4-oxohept-2-en-2-yl)-3-methoxybenzohydrazide
CID 3101252
1-(3-methoxyphenyl)-3-pyridin-4-ylbut-2-en-1-one
CID 86237720
2-nitro-N'-(4-oxo-4-phenylbut-2-en-2-yl)benzohydrazide
CID 4213770
2-hydroxy-N-[(Z)-(2-hydroxy-4-methoxyphenyl)methylideneamino]benzamide
CID 135883025
methyl 2-[2-(3-methoxyphenyl)-2-oxoacetyl]benzoate
CID 10108693
methyl 4-[[(2-hydroxybenzoyl)amino]carbamoyl]benzoate
CID 27693462
N'-(4-aminobenzoyl)-3-methoxybenzohydrazide
CID 684303
2-chloro-N'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]benzohydrazide
CID 35929315
2-hydroxy-4-methoxy-N-[(Z)-1-phenylethylideneamino]benzamide
CID 126396445

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N'-[(E)-4-(3-methoxyphenyl)-4-oxobut-2-en-2-yl]benzohydrazide?
The IUPAC name of 2-hydroxy-N'-[(E)-4-(3-methoxyphenyl)-4-oxobut-2-en-2-yl]benzohydrazide (CID 51056581) is 2-hydroxy-N'-[(E)-4-(3-methoxyphenyl)-4-oxobut-2-en-2-yl]benzohydrazide.
What is the SMILES notation for 2-hydroxy-N'-[(E)-4-(3-methoxyphenyl)-4-oxobut-2-en-2-yl]benzohydrazide?
The canonical SMILES for 2-hydroxy-N'-[(E)-4-(3-methoxyphenyl)-4-oxobut-2-en-2-yl]benzohydrazide is COc1cccc(C(=O)/C=C(\C)NNC(=O)c2ccccc2O)c1.
What is the InChIKey of 2-hydroxy-N'-[(E)-4-(3-methoxyphenyl)-4-oxobut-2-en-2-yl]benzohydrazide?
The InChIKey is MCYIQRGNQIXQJU-ZRDIBKRKSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-12(10-17(22)13-6-5-7-14(11-13)24-2)19-20-18(23)15-8-3-4-9-16(15)21/h3-11,19,21H,1-2H3,(H,20,23)/b12-10+.
What are the key properties of 2-hydroxy-N'-[(E)-4-(3-methoxyphenyl)-4-oxobut-2-en-2-yl]benzohydrazide?
2-hydroxy-N'-[(E)-4-(3-methoxyphenyl)-4-oxobut-2-en-2-yl]benzohydrazide has a molecular weight of 326.35 g/mol, XLogP of 2.42, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N'-[(E)-4-(3-methoxyphenyl)-4-oxobut-2-en-2-yl]benzohydrazide is sourced from PubChem (CID 51056581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).