N-(2,4-dimethoxyphenyl)-3-[[2-(4-methylphenoxy)acetyl]hydrazinylidene]butanamide

C21H25N3O5 — CID 3105692

IUPACN-(2,4-dimethoxyphenyl)-3-[[2-(4-methylphenoxy)acetyl]hydrazinylidene]butanamide
SMILESCOc1ccc(NC(=O)CC(C)=NNC(=O)COc2ccc(C)cc2)c(OC)c1
InChIInChI=1S/C21H25N3O5/c1-14-5-7-16(8-6-14)29-13-21(26)24-23-15(2)11-20(25)22-18-10-9-17(27-3)12-19(18)28-4/h5-10,12H,11,13H2,1-4H3,(H,22,25)(H,24,26)
InChIKeyFDFOSMGRWKXPJC-UHFFFAOYSA-N
MW399.45 g/mol
LogP2.91
Rot. Bonds9

About N-(2,4-dimethoxyphenyl)-3-[[2-(4-methylphenoxy)acetyl]hydrazinylidene]butanamide

N-(2,4-dimethoxyphenyl)-3-[[2-(4-methylphenoxy)acetyl]hydrazinylidene]butanamide (PubChem CID 3105692) has the molecular formula C21H25N3O5 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-3-[[2-(4-methylphenoxy)acetyl]hydrazinylidene]butanamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-3-[[2-(4-methylphenoxy)acetyl]hydrazinylidene]butanamide
PubChem CID3105692
Molecular FormulaC21H25N3O5
Molecular Weight399.45 g/mol
Exact Mass399.18
IUPAC NameN-(2,4-dimethoxyphenyl)-3-[[2-(4-methylphenoxy)acetyl]hydrazinylidene]butanamide
SMILESCOc1ccc(NC(=O)CC(C)=NNC(=O)COc2ccc(C)cc2)c(OC)c1
InChIInChI=1S/C21H25N3O5/c1-14-5-7-16(8-6-14)29-13-21(26)24-23-15(2)11-20(25)22-18-10-9-17(27-3)12-19(18)28-4/h5-10,12H,11,13H2,1-4H3,(H,22,25)(H,24,26)
InChIKeyFDFOSMGRWKXPJC-UHFFFAOYSA-N
XLogP2.91
TPSA98.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(2,4-dimethoxyphenyl)-3-[[2-(4-methylphenoxy)acetyl]hydrazinylidene]butanamide 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

3-[[2-(2,4-dibromo-5-methylphenoxy)acetyl]hydrazinylidene]-N-(2,4-dimethoxyphenyl)butanamide
CID 4592641
N-(2,4-dimethoxyphenyl)-2-(4-methoxyphenoxy)acetamide
CID 868059
3-[(2-methoxyacetyl)hydrazinylidene]-N-(2-methoxy-5-methylphenyl)butanamide
CID 542160
4-chloro-N-[(E)-[4-(2,4-dimethoxyanilino)-4-oxobutan-2-ylidene]amino]benzamide
CID 7225178
N-(2-chlorophenyl)-3-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]butanamide
CID 7227296
(3Z)-3-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]-N-(2-phenylphenyl)butanamide
CID 6142780
N-[4-(dimethylamino)phenyl]-3-[[2-(4-methylphenoxy)acetyl]hydrazinylidene]butanamide
CID 3636955
N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 6259144
N-(2,4-dimethoxyphenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 17247228
N-(4-bromophenyl)-3-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]butanamide
CID 3543666
N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 9316157
2-(3,5-dichlorophenoxy)-N-(2,4-dimethoxyphenyl)acetamide
CID 7467088

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-3-[[2-(4-methylphenoxy)acetyl]hydrazinylidene]butanamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-3-[[2-(4-methylphenoxy)acetyl]hydrazinylidene]butanamide (CID 3105692) is N-(2,4-dimethoxyphenyl)-3-[[2-(4-methylphenoxy)acetyl]hydrazinylidene]butanamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-3-[[2-(4-methylphenoxy)acetyl]hydrazinylidene]butanamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-3-[[2-(4-methylphenoxy)acetyl]hydrazinylidene]butanamide is COc1ccc(NC(=O)CC(C)=NNC(=O)COc2ccc(C)cc2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-3-[[2-(4-methylphenoxy)acetyl]hydrazinylidene]butanamide?
The InChIKey is FDFOSMGRWKXPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5/c1-14-5-7-16(8-6-14)29-13-21(26)24-23-15(2)11-20(25)22-18-10-9-17(27-3)12-19(18)28-4/h5-10,12H,11,13H2,1-4H3,(H,22,25)(H,24,26).
What are the key properties of N-(2,4-dimethoxyphenyl)-3-[[2-(4-methylphenoxy)acetyl]hydrazinylidene]butanamide?
N-(2,4-dimethoxyphenyl)-3-[[2-(4-methylphenoxy)acetyl]hydrazinylidene]butanamide has a molecular weight of 399.45 g/mol, XLogP of 2.91, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-3-[[2-(4-methylphenoxy)acetyl]hydrazinylidene]butanamide is sourced from PubChem (CID 3105692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).