2-(2,5-dimethoxyanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide

C24H26N2O5 — CID 54814109

IUPAC2-(2,5-dimethoxyanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
SMILESCOc1ccc(OC)c(NCC(=O)Nc2cccc(OCCOc3ccccc3)c2)c1
InChIInChI=1S/C24H26N2O5/c1-28-20-11-12-23(29-2)22(16-20)25-17-24(27)26-18-7-6-10-21(15-18)31-14-13-30-19-8-4-3-5-9-19/h3-12,15-16,25H,13-14,17H2,1-2H3,(H,26,27)
InChIKeyFZWBQJRPZVCHBS-UHFFFAOYSA-N
MW422.48 g/mol
LogP4.21
Rot. Bonds11

About 2-(2,5-dimethoxyanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide

2-(2,5-dimethoxyanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide (PubChem CID 54814109) has the molecular formula C24H26N2O5 and a molecular weight of 422.48 g/mol. Its IUPAC name is 2-(2,5-dimethoxyanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethoxyanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
PubChem CID54814109
Molecular FormulaC24H26N2O5
Molecular Weight422.48 g/mol
Exact Mass422.18
IUPAC Name2-(2,5-dimethoxyanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
SMILESCOc1ccc(OC)c(NCC(=O)Nc2cccc(OCCOc3ccccc3)c2)c1
InChIInChI=1S/C24H26N2O5/c1-28-20-11-12-23(29-2)22(16-20)25-17-24(27)26-18-7-6-10-21(15-18)31-14-13-30-19-8-4-3-5-9-19/h3-12,15-16,25H,13-14,17H2,1-2H3,(H,26,27)
InChIKeyFZWBQJRPZVCHBS-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'}

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Related Compounds

2-(2,5-dimethoxyanilino)-N-[3-(3-methylbutoxy)phenyl]acetamide
CID 54814025
2-(2,5-dimethoxyanilino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 54814166
2-(2,5-dimethoxyanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54813974
2-(2,5-dimethoxyanilino)-N-(3-propan-2-yloxyphenyl)acetamide
CID 54813924
2-(2-methoxyanilino)-N-[3-(2-phenylethoxy)phenyl]acetamide
CID 54817560
N-(3-hexoxyphenyl)-2-(2-methoxyanilino)acetamide
CID 54817265
2-(2-methoxyanilino)-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 54817190
2-(2,5-dimethoxyanilino)-N-phenylacetamide;2-methylaniline
CID 174411447
N-(3-methoxyphenyl)-2-(2-phenylmethoxyanilino)acetamide
CID 54827854
2-(3,4-dimethylanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54811716
2-(2-chloroanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54810439
2-[2-(2-methylprop-2-enoxy)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54826186

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide?
The IUPAC name of 2-(2,5-dimethoxyanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide (CID 54814109) is 2-(2,5-dimethoxyanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(2,5-dimethoxyanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide?
The canonical SMILES for 2-(2,5-dimethoxyanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide is COc1ccc(OC)c(NCC(=O)Nc2cccc(OCCOc3ccccc3)c2)c1.
What is the InChIKey of 2-(2,5-dimethoxyanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide?
The InChIKey is FZWBQJRPZVCHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5/c1-28-20-11-12-23(29-2)22(16-20)25-17-24(27)26-18-7-6-10-21(15-18)31-14-13-30-19-8-4-3-5-9-19/h3-12,15-16,25H,13-14,17H2,1-2H3,(H,26,27).
What are the key properties of 2-(2,5-dimethoxyanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide?
2-(2,5-dimethoxyanilino)-N-[3-(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-[3-(2-phenoxyethoxy)phenyl]acetamide is sourced from PubChem (CID 54814109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).