2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxy-N-(3,3-diphenylpropyl)acetamide

C26H28N2O4 — CID 46615768

IUPAC2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxy-N-(3,3-diphenylpropyl)acetamide
SMILESCOc1ccc(OC)c(/C=N/OCC(=O)NCCC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C26H28N2O4/c1-30-23-13-14-25(31-2)22(17-23)18-28-32-19-26(29)27-16-15-24(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-14,17-18,24H,15-16,19H2,1-2H3,(H,27,29)/b28-18+
InChIKeyFLGHJDMQALOUKB-MTDXEUNCSA-N
MW432.52 g/mol
LogP4.39
Rot. Bonds11

About 2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxy-N-(3,3-diphenylpropyl)acetamide

2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxy-N-(3,3-diphenylpropyl)acetamide (PubChem CID 46615768) has the molecular formula C26H28N2O4 and a molecular weight of 432.52 g/mol. Its IUPAC name is 2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxy-N-(3,3-diphenylpropyl)acetamide.

Molecular Properties

Compound Name2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxy-N-(3,3-diphenylpropyl)acetamide
PubChem CID46615768
Molecular FormulaC26H28N2O4
Molecular Weight432.52 g/mol
Exact Mass432.20
IUPAC Name2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxy-N-(3,3-diphenylpropyl)acetamide
SMILESCOc1ccc(OC)c(/C=N/OCC(=O)NCCC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C26H28N2O4/c1-30-23-13-14-25(31-2)22(17-23)18-28-32-19-26(29)27-16-15-24(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-14,17-18,24H,15-16,19H2,1-2H3,(H,27,29)/b28-18+
InChIKeyFLGHJDMQALOUKB-MTDXEUNCSA-N
XLogP4.39
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxy-N-(3,3-diphenylpropyl)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

N-butyl-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyacetamide
CID 9355431
2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxy-N-(thiophen-2-ylmethyl)acetamide
CID 46670959
2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxy-N-(3,4-dimethylphenyl)acetamide
CID 9355358
N-benzhydryl-2-[(2,4-dimethoxyphenyl)methylideneamino]oxyacetamide
CID 2428169
N-(3-chloro-4-methoxyphenyl)-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyacetamide
CID 9355379
N-(3,4-dichlorophenyl)-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyacetamide
CID 9355357
N-(2,5-dimethoxyphenyl)-2-[(Z)-(2-methylphenyl)methylideneamino]oxyacetamide
CID 7670070
2-[(2,4-dimethoxyphenyl)carbamoylamino]-N-(3,3-diphenylpropyl)acetamide
CID 42696932
2-(2,6-dimethoxy-4-methylphenoxy)-N-(3,3-diphenylpropyl)acetamide
CID 7695606
N-(3,3-diphenylpropyl)-2-[2-(4-methoxyphenyl)ethylamino]acetamide
CID 16658889
3-[[(2,5-dimethoxyphenyl)methylideneamino]oxymethyl]-N-phenylbenzamide
CID 55856578
1-(2,5-dimethoxyphenyl)-N-[(1S)-1-phenylethyl]methanimine
CID 10849591

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxy-N-(3,3-diphenylpropyl)acetamide?
The IUPAC name of 2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxy-N-(3,3-diphenylpropyl)acetamide (CID 46615768) is 2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxy-N-(3,3-diphenylpropyl)acetamide.
What is the SMILES notation for 2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxy-N-(3,3-diphenylpropyl)acetamide?
The canonical SMILES for 2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxy-N-(3,3-diphenylpropyl)acetamide is COc1ccc(OC)c(/C=N/OCC(=O)NCCC(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxy-N-(3,3-diphenylpropyl)acetamide?
The InChIKey is FLGHJDMQALOUKB-MTDXEUNCSA-N. The full InChI is InChI=1S/C26H28N2O4/c1-30-23-13-14-25(31-2)22(17-23)18-28-32-19-26(29)27-16-15-24(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-14,17-18,24H,15-16,19H2,1-2H3,(H,27,29)/b28-18+.
What are the key properties of 2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxy-N-(3,3-diphenylpropyl)acetamide?
2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxy-N-(3,3-diphenylpropyl)acetamide has a molecular weight of 432.52 g/mol, XLogP of 4.39, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxy-N-(3,3-diphenylpropyl)acetamide is sourced from PubChem (CID 46615768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).