(Z)-N-[2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide

C19H19N3O4 — CID 135735447

IUPAC(Z)-N-[2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide
SMILESCOc1cccc(/C=N/NC(=O)CNC(=O)/C=C\c2ccccc2)c1O
InChIInChI=1S/C19H19N3O4/c1-26-16-9-5-8-15(19(16)25)12-21-22-18(24)13-20-17(23)11-10-14-6-3-2-4-7-14/h2-12,25H,13H2,1H3,(H,20,23)(H,22,24)/b11-10-,21-12+
InChIKeyVQRRSATXHPCJII-DLNWUCCESA-N
MW353.38 g/mol
LogP1.68
Rot. Bonds7

About (Z)-N-[2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide

(Z)-N-[2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide (PubChem CID 135735447) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is (Z)-N-[2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide
PubChem CID135735447
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name(Z)-N-[2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide
SMILESCOc1cccc(/C=N/NC(=O)CNC(=O)/C=C\c2ccccc2)c1O
InChIInChI=1S/C19H19N3O4/c1-26-16-9-5-8-15(19(16)25)12-21-22-18(24)13-20-17(23)11-10-14-6-3-2-4-7-14/h2-12,25H,13H2,1H3,(H,20,23)(H,22,24)/b11-10-,21-12+
InChIKeyVQRRSATXHPCJII-DLNWUCCESA-N
XLogP1.68
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-[(E)-(5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide
CID 135549613
N-Cyclohexyl-2-(4-hydroxy-3-methoxy-benzylidene-hydrazinocarbonyl)-acetamide
CID 135411910
2-(1-azepanyl)-N'-(4-hydroxy-3-methoxybenzylidene)-2-oxoacetohydrazide
CID 135457602
2-(azepan-1-yl)-N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylidene]-2-oxoacetohydrazide
CID 135457608
N-[1-(2-Hydroxy-3-methoxy-phenyl)-meth-(E)-ylidene-hydrazinocarbonylmethyl]-3-phenyl-propionamide
CID 135549589
N-[1-(2-Hydroxy-3-methoxy-phenyl)-meth-(E)-ylidene-hydrazinocarbonylmethyl]-2-m-tolyloxy-acetamide
CID 135648074
N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylidene]-6-oxo-1,6-dihydropyridazine-3-carbohydrazide
CID 135650553
N'-(2,3-dimethoxybenzylidene)-1-methyl-6-oxo-1,6-dihydro-3-pyridinecarbohydrazide
CID 5339935
(2E)-3-(2-Methoxyphenyl)-N-({N'-[(E)-phenylmethylidene]hydrazinecarbonyl}methyl)prop-2-enamide
CID 9552932
(2E)-3-(2-Methoxyphenyl)-N-({N'-[(E)-(4-methoxyphenyl)methylidene]hydrazinecarbonyl}methyl)prop-2-enamide
CID 9642078
(2E)-3-(4-Methoxyphenyl)-N-({N'-[(E)-(4-methoxyphenyl)methylidene]hydrazinecarbonyl}methyl)prop-2-enamide
CID 9680671
N-[(1Z)-2-(4-hydroxy-3-methoxyphenyl)-1-azavinyl]-N'-(2-phenylethyl)propane-1, 3-diamide
CID 135411907

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide?
The IUPAC name of (Z)-N-[2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide (CID 135735447) is (Z)-N-[2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (Z)-N-[2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide?
The canonical SMILES for (Z)-N-[2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide is COc1cccc(/C=N/NC(=O)CNC(=O)/C=C\c2ccccc2)c1O.
What is the InChIKey of (Z)-N-[2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide?
The InChIKey is VQRRSATXHPCJII-DLNWUCCESA-N. The full InChI is InChI=1S/C19H19N3O4/c1-26-16-9-5-8-15(19(16)25)12-21-22-18(24)13-20-17(23)11-10-14-6-3-2-4-7-14/h2-12,25H,13H2,1H3,(H,20,23)(H,22,24)/b11-10-,21-12+.
What are the key properties of (Z)-N-[2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide?
(Z)-N-[2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide has a molecular weight of 353.38 g/mol, XLogP of 1.68, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 135735447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).