4-(2-bromo-4-methylphenoxy)-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]butanamide

C20H23BrN2O4 — CID 19208062

IUPAC4-(2-bromo-4-methylphenoxy)-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]butanamide
SMILESCOc1ccc(OC)c(/C=N/NC(=O)CCCOc2ccc(C)cc2Br)c1
InChIInChI=1S/C20H23BrN2O4/c1-14-6-8-19(17(21)11-14)27-10-4-5-20(24)23-22-13-15-12-16(25-2)7-9-18(15)26-3/h6-9,11-13H,4-5,10H2,1-3H3,(H,23,24)/b22-13+
InChIKeyIGRGPSWFGBGZMI-LPYMAVHISA-N
MW435.32 g/mol
LogP4.08
Rot. Bonds9

About 4-(2-bromo-4-methylphenoxy)-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]butanamide

4-(2-bromo-4-methylphenoxy)-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]butanamide (PubChem CID 19208062) has the molecular formula C20H23BrN2O4 and a molecular weight of 435.32 g/mol. Its IUPAC name is 4-(2-bromo-4-methylphenoxy)-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]butanamide.

Molecular Properties

Compound Name4-(2-bromo-4-methylphenoxy)-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]butanamide
PubChem CID19208062
Molecular FormulaC20H23BrN2O4
Molecular Weight435.32 g/mol
Exact Mass434.08
IUPAC Name4-(2-bromo-4-methylphenoxy)-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]butanamide
SMILESCOc1ccc(OC)c(/C=N/NC(=O)CCCOc2ccc(C)cc2Br)c1
InChIInChI=1S/C20H23BrN2O4/c1-14-6-8-19(17(21)11-14)27-10-4-5-20(24)23-22-13-15-12-16(25-2)7-9-18(15)26-3/h6-9,11-13H,4-5,10H2,1-3H3,(H,23,24)/b22-13+
InChIKeyIGRGPSWFGBGZMI-LPYMAVHISA-N
XLogP4.08
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.32
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(2-bromo-4-methylphenoxy)-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]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

N-[(E)-(5-bromo-2-ethoxyphenyl)methylideneamino]-4-(2-bromo-4-methylphenoxy)butanamide
CID 19208092
4-(2-bromo-4-methylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
CID 19202702
2-(4-bromo-2,6-dimethylphenoxy)-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]acetamide
CID 19182694
4-(2-bromo-4-methylphenoxy)-N-(3,4-dimethoxyphenyl)butanamide
CID 19201751
4-(2-bromo-4-methylphenoxy)-N-(3-methoxyphenyl)butanamide
CID 19201641
N-[(Z)-(2-bromo-5-methoxyphenyl)methylideneamino]octadecanamide
CID 124632237
[2-[(Z)-[[10-[(2Z)-2-[(2-acetyloxy-5-methoxyphenyl)methylidene]hydrazinyl]-10-oxodecanoyl]hydrazinylidene]methyl]-4-methoxyphenyl] acetate
CID 98310557
N-[(2,5-dimethoxyphenyl)methylideneamino]-2-methoxy-4-methylbenzamide
CID 4304772
2-chloro-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-4-methylbenzamide
CID 7373594
N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-(2-methoxyphenyl)butanediamide
CID 3962833
2-(4-chloro-3-methylphenoxy)-N-[(2,5-dimethoxyphenyl)methylideneamino]acetamide
CID 19167750
2-(4-chloro-3-methylphenoxy)-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]acetamide
CID 39819272

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-methylphenoxy)-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]butanamide?
The IUPAC name of 4-(2-bromo-4-methylphenoxy)-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]butanamide (CID 19208062) is 4-(2-bromo-4-methylphenoxy)-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]butanamide.
What is the SMILES notation for 4-(2-bromo-4-methylphenoxy)-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]butanamide?
The canonical SMILES for 4-(2-bromo-4-methylphenoxy)-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]butanamide is COc1ccc(OC)c(/C=N/NC(=O)CCCOc2ccc(C)cc2Br)c1.
What is the InChIKey of 4-(2-bromo-4-methylphenoxy)-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]butanamide?
The InChIKey is IGRGPSWFGBGZMI-LPYMAVHISA-N. The full InChI is InChI=1S/C20H23BrN2O4/c1-14-6-8-19(17(21)11-14)27-10-4-5-20(24)23-22-13-15-12-16(25-2)7-9-18(15)26-3/h6-9,11-13H,4-5,10H2,1-3H3,(H,23,24)/b22-13+.
What are the key properties of 4-(2-bromo-4-methylphenoxy)-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]butanamide?
4-(2-bromo-4-methylphenoxy)-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]butanamide has a molecular weight of 435.32 g/mol, XLogP of 4.08, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-methylphenoxy)-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]butanamide is sourced from PubChem (CID 19208062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).