2-[4-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-2-methoxyphenoxy]-N-(2-methylphenyl)acetamide

C23H25N5O3 — CID 126020516

IUPAC2-[4-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-2-methoxyphenoxy]-N-(2-methylphenyl)acetamide
SMILESCOc1cc(/C=N/Nc2nc(C)cc(C)n2)ccc1OCC(=O)Nc1ccccc1C
InChIInChI=1S/C23H25N5O3/c1-15-7-5-6-8-19(15)27-22(29)14-31-20-10-9-18(12-21(20)30-4)13-24-28-23-25-16(2)11-17(3)26-23/h5-13H,14H2,1-4H3,(H,27,29)(H,25,26,28)/b24-13+
InChIKeyOOMLYRNABLETHZ-ZMOGYAJESA-N
MW419.49 g/mol
LogP3.87
Rot. Bonds8

About 2-[4-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-2-methoxyphenoxy]-N-(2-methylphenyl)acetamide

2-[4-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-2-methoxyphenoxy]-N-(2-methylphenyl)acetamide (PubChem CID 126020516) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is 2-[4-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-2-methoxyphenoxy]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-2-methoxyphenoxy]-N-(2-methylphenyl)acetamide
PubChem CID126020516
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC Name2-[4-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-2-methoxyphenoxy]-N-(2-methylphenyl)acetamide
SMILESCOc1cc(/C=N/Nc2nc(C)cc(C)n2)ccc1OCC(=O)Nc1ccccc1C
InChIInChI=1S/C23H25N5O3/c1-15-7-5-6-8-19(15)27-22(29)14-31-20-10-9-18(12-21(20)30-4)13-24-28-23-25-16(2)11-17(3)26-23/h5-13H,14H2,1-4H3,(H,27,29)(H,25,26,28)/b24-13+
InChIKeyOOMLYRNABLETHZ-ZMOGYAJESA-N
XLogP3.87
TPSA97.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[4-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-2-methoxyphenoxy]-N-(2-methylphenyl)acetamide 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-methoxy-N-[(E)-[3-methoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126015220
2-methoxy-N-[(Z)-[3-methoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126016968
2-[4-[(E)-[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenoxy]-N-(2-methylphenyl)acetamide
CID 126027680
N-[(E)-[3-methoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]furan-2-carboxamide
CID 126023583
N'-[(Z)-[3-methoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 126158149
N'-[(Z)-[4-[2-(3,4-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(2-methylphenyl)oxamide
CID 126158302
N-[(E)-[3-methoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-methylbenzamide
CID 126014488
3-hydroxy-N-[(E)-[3-methoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126016312
2-[4-[(Z)-(diphenylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-(2-methylphenyl)acetamide
CID 126027803
N'-[(Z)-[4-[2-(benzylamino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(2-methylphenyl)oxamide
CID 126177562
N-[(E)-[3-ethoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 126018675
2-[2-methoxy-4-[(E)-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]methyl]phenoxy]-N-phenylacetamide
CID 136740591

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-2-methoxyphenoxy]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[4-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-2-methoxyphenoxy]-N-(2-methylphenyl)acetamide (CID 126020516) is 2-[4-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-2-methoxyphenoxy]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-2-methoxyphenoxy]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[4-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-2-methoxyphenoxy]-N-(2-methylphenyl)acetamide is COc1cc(/C=N/Nc2nc(C)cc(C)n2)ccc1OCC(=O)Nc1ccccc1C.
What is the InChIKey of 2-[4-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-2-methoxyphenoxy]-N-(2-methylphenyl)acetamide?
The InChIKey is OOMLYRNABLETHZ-ZMOGYAJESA-N. The full InChI is InChI=1S/C23H25N5O3/c1-15-7-5-6-8-19(15)27-22(29)14-31-20-10-9-18(12-21(20)30-4)13-24-28-23-25-16(2)11-17(3)26-23/h5-13H,14H2,1-4H3,(H,27,29)(H,25,26,28)/b24-13+.
What are the key properties of 2-[4-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-2-methoxyphenoxy]-N-(2-methylphenyl)acetamide?
2-[4-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-2-methoxyphenoxy]-N-(2-methylphenyl)acetamide has a molecular weight of 419.49 g/mol, XLogP of 3.87, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-2-methoxyphenoxy]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 126020516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).