N-[2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide

C17H17N3O4 — CID 135437616

IUPACN-[2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
SMILESCOc1cc(/C=N/NC(=O)CNC(=O)c2ccccc2)ccc1O
InChIInChI=1S/C17H17N3O4/c1-24-15-9-12(7-8-14(15)21)10-19-20-16(22)11-18-17(23)13-5-3-2-4-6-13/h2-10,21H,11H2,1H3,(H,18,23)(H,20,22)/b19-10+
InChIKeyJGXJXTXKNQSLQK-VXLYETTFSA-N
MW327.34 g/mol
LogP1.28
Rot. Bonds6

About N-[2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide

N-[2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide (PubChem CID 135437616) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is N-[2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
PubChem CID135437616
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC NameN-[2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
SMILESCOc1cc(/C=N/NC(=O)CNC(=O)c2ccccc2)ccc1O
InChIInChI=1S/C17H17N3O4/c1-24-15-9-12(7-8-14(15)21)10-19-20-16(22)11-18-17(23)13-5-3-2-4-6-13/h2-10,21H,11H2,1H3,(H,18,23)(H,20,22)/b19-10+
InChIKeyJGXJXTXKNQSLQK-VXLYETTFSA-N
XLogP1.28
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

N-(2-(2-(2-Furylmethylene)hydrazino)-2-oxoethyl)-3,4-dimethoxybenzamide
CID 9603365
Benzoic (4-hydroxy-3-methoxybenzylidene)hydrazide
CID 135437609
N-(Benzo[1,3]dioxol-5-ylmethylene-hydrazinocarbonylmethyl)-2-methoxy-benzamide
CID 6870706
N-(Benzo[1,3]dioxol-5-ylmethylene-hydrazinocarbonylmethyl)-2-fluoro-benzamide
CID 9592219
3,4-dimethoxy-N-(2-{2-[(5-methyl-2-furyl)methylene]hydrazino}-2-oxoethyl)benzamide
CID 9691124
4-hydroxy-3-methoxy-N'-[(E)-(3-phenoxyphenyl)methylidene]benzohydrazide
CID 25237444
N-Cyclohexyl-2-(4-hydroxy-3-methoxy-benzylidene-hydrazinocarbonyl)-acetamide
CID 135411910
N-[1-(2-Hydroxy-3-methoxy-phenyl)-meth-(E)-ylidene-hydrazinocarbonylmethyl]-3-phenyl-propionamide
CID 135549589
2-[2-(3,4-dimethoxybenzoyl)hydrazino]-2-oxo-N-(1-phenylethyl)acetamide
CID 3422545
N-[2-[2-[(E)-(5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 135521543
1-(2-Hydroxybenzoyl)-2-(2-hydroxy-3-methoxybenzal)hydrazine
CID 438716
3,4-Dimethoxy-N-(2-oxo-2-(2-(3-phenyl-2-propenylidene)hydrazino)ethyl)benzamide
CID 9621499

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide (CID 135437616) is N-[2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide is COc1cc(/C=N/NC(=O)CNC(=O)c2ccccc2)ccc1O.
What is the InChIKey of N-[2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide?
The InChIKey is JGXJXTXKNQSLQK-VXLYETTFSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-24-15-9-12(7-8-14(15)21)10-19-20-16(22)11-18-17(23)13-5-3-2-4-6-13/h2-10,21H,11H2,1H3,(H,18,23)(H,20,22)/b19-10+.
What are the key properties of N-[2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide?
N-[2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide has a molecular weight of 327.34 g/mol, XLogP of 1.28, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 135437616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).