2-(2,5-dimethoxyanilino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide

C24H26N2O5 — CID 54814166

IUPAC2-(2,5-dimethoxyanilino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
SMILESCOc1ccc(OC)c(NCC(=O)Nc2ccccc2OCCOc2ccccc2)c1
InChIInChI=1S/C24H26N2O5/c1-28-19-12-13-22(29-2)21(16-19)25-17-24(27)26-20-10-6-7-11-23(20)31-15-14-30-18-8-4-3-5-9-18/h3-13,16,25H,14-15,17H2,1-2H3,(H,26,27)
InChIKeyZRXYMWKGRFRDQZ-UHFFFAOYSA-N
MW422.48 g/mol
LogP4.21
Rot. Bonds11

About 2-(2,5-dimethoxyanilino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide

2-(2,5-dimethoxyanilino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide (PubChem CID 54814166) has the molecular formula C24H26N2O5 and a molecular weight of 422.48 g/mol. Its IUPAC name is 2-(2,5-dimethoxyanilino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethoxyanilino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
PubChem CID54814166
Molecular FormulaC24H26N2O5
Molecular Weight422.48 g/mol
Exact Mass422.18
IUPAC Name2-(2,5-dimethoxyanilino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
SMILESCOc1ccc(OC)c(NCC(=O)Nc2ccccc2OCCOc2ccccc2)c1
InChIInChI=1S/C24H26N2O5/c1-28-19-12-13-22(29-2)21(16-19)25-17-24(27)26-20-10-6-7-11-23(20)31-15-14-30-18-8-4-3-5-9-18/h3-13,16,25H,14-15,17H2,1-2H3,(H,26,27)
InChIKeyZRXYMWKGRFRDQZ-UHFFFAOYSA-N
XLogP4.21
TPSA78.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(2,5-dimethoxyanilino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyanilino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide?
The IUPAC name of 2-(2,5-dimethoxyanilino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide (CID 54814166) is 2-(2,5-dimethoxyanilino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(2,5-dimethoxyanilino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide?
The canonical SMILES for 2-(2,5-dimethoxyanilino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide is COc1ccc(OC)c(NCC(=O)Nc2ccccc2OCCOc2ccccc2)c1.
What is the InChIKey of 2-(2,5-dimethoxyanilino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide?
The InChIKey is ZRXYMWKGRFRDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5/c1-28-19-12-13-22(29-2)21(16-19)25-17-24(27)26-20-10-6-7-11-23(20)31-15-14-30-18-8-4-3-5-9-18/h3-13,16,25H,14-15,17H2,1-2H3,(H,26,27).
What are the key properties of 2-(2,5-dimethoxyanilino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide?
2-(2,5-dimethoxyanilino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide has a molecular weight of 422.48 g/mol, XLogP of 4.21, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyanilino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide is sourced from PubChem (CID 54814166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).