N-[2-[(2E)-2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-methylbenzamide

C19H21N3O3 — CID 45054416

IUPACN-[2-[(2E)-2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-methylbenzamide
SMILESCCOc1ccc(/C=N/NC(=O)CNC(=O)c2ccccc2C)cc1
InChIInChI=1S/C19H21N3O3/c1-3-25-16-10-8-15(9-11-16)12-21-22-18(23)13-20-19(24)17-7-5-4-6-14(17)2/h4-12H,3,13H2,1-2H3,(H,20,24)(H,22,23)/b21-12+
InChIKeyWYODJGLEKFKHTB-CIAFOILYSA-N
MW339.40 g/mol
LogP2.27
Rot. Bonds7

About N-[2-[(2E)-2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-methylbenzamide

N-[2-[(2E)-2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-methylbenzamide (PubChem CID 45054416) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[2-[(2E)-2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-[(2E)-2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-methylbenzamide
PubChem CID45054416
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-[2-[(2E)-2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-methylbenzamide
SMILESCCOc1ccc(/C=N/NC(=O)CNC(=O)c2ccccc2C)cc1
InChIInChI=1S/C19H21N3O3/c1-3-25-16-10-8-15(9-11-16)12-21-22-18(23)13-20-19(24)17-7-5-4-6-14(17)2/h4-12H,3,13H2,1-2H3,(H,20,24)(H,22,23)/b21-12+
InChIKeyWYODJGLEKFKHTB-CIAFOILYSA-N
XLogP2.27
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[2-[(2E)-2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[[[2-[(2-methylbenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-butoxybenzoate
CID 3554092
[4-[(Z)-[[2-[(2-methylbenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate
CID 6185832
[4-[(Z)-[[2-[(2-methylbenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
CID 6293341
N-[2-[(2Z)-2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 7032630
2-methoxy-N-[2-oxo-2-[2-[(4-propoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
CID 3400317
4-butoxy-N-[2-[(2Z)-2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 6006672
2-methyl-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 19061066
[4-[[[2-[(4-methylbenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-ethoxybenzoate
CID 3845056
[4-[[[2-[(4-chlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-methylbenzoate
CID 4142908
2-methyl-N-[(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 916420
N-[2-[1-(4-ethoxyphenyl)ethylamino]-2-oxoethyl]-2-methylbenzamide
CID 51292786
2-methoxy-N-[2-oxo-2-[2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
CID 3907655

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2E)-2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-methylbenzamide?
The IUPAC name of N-[2-[(2E)-2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-methylbenzamide (CID 45054416) is N-[2-[(2E)-2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-methylbenzamide.
What is the SMILES notation for N-[2-[(2E)-2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-methylbenzamide?
The canonical SMILES for N-[2-[(2E)-2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-methylbenzamide is CCOc1ccc(/C=N/NC(=O)CNC(=O)c2ccccc2C)cc1.
What is the InChIKey of N-[2-[(2E)-2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-methylbenzamide?
The InChIKey is WYODJGLEKFKHTB-CIAFOILYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-3-25-16-10-8-15(9-11-16)12-21-22-18(23)13-20-19(24)17-7-5-4-6-14(17)2/h4-12H,3,13H2,1-2H3,(H,20,24)(H,22,23)/b21-12+.
What are the key properties of N-[2-[(2E)-2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-methylbenzamide?
N-[2-[(2E)-2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-methylbenzamide has a molecular weight of 339.40 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2E)-2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-methylbenzamide is sourced from PubChem (CID 45054416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).