2-[3-(2-phenylethoxy)anilino]-N-(2-prop-2-enoxyphenyl)acetamide

C25H26N2O3 — CID 54828312

IUPAC2-[3-(2-phenylethoxy)anilino]-N-(2-prop-2-enoxyphenyl)acetamide
SMILESC=CCOc1ccccc1NC(=O)CNc1cccc(OCCc2ccccc2)c1
InChIInChI=1S/C25H26N2O3/c1-2-16-30-24-14-7-6-13-23(24)27-25(28)19-26-21-11-8-12-22(18-21)29-17-15-20-9-4-3-5-10-20/h2-14,18,26H,1,15-17,19H2,(H,27,28)
InChIKeyRDXKUGXXOYIISN-UHFFFAOYSA-N
MW402.49 g/mol
LogP4.92
Rot. Bonds11

About 2-[3-(2-phenylethoxy)anilino]-N-(2-prop-2-enoxyphenyl)acetamide

2-[3-(2-phenylethoxy)anilino]-N-(2-prop-2-enoxyphenyl)acetamide (PubChem CID 54828312) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is 2-[3-(2-phenylethoxy)anilino]-N-(2-prop-2-enoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(2-phenylethoxy)anilino]-N-(2-prop-2-enoxyphenyl)acetamide
PubChem CID54828312
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name2-[3-(2-phenylethoxy)anilino]-N-(2-prop-2-enoxyphenyl)acetamide
SMILESC=CCOc1ccccc1NC(=O)CNc1cccc(OCCc2ccccc2)c1
InChIInChI=1S/C25H26N2O3/c1-2-16-30-24-14-7-6-13-23(24)27-25(28)19-26-21-11-8-12-22(18-21)29-17-15-20-9-4-3-5-10-20/h2-14,18,26H,1,15-17,19H2,(H,27,28)
InChIKeyRDXKUGXXOYIISN-UHFFFAOYSA-N
XLogP4.92
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[3-(2-phenylethoxy)anilino]-N-(2-prop-2-enoxyphenyl)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-(2-phenylmethoxyphenyl)-2-(3-prop-2-enoxyanilino)acetamide
CID 54826275
2-(3-hexoxyanilino)-N-(2-prop-2-enoxyphenyl)acetamide
CID 54823386
2-[3-(2-phenoxyethoxy)anilino]-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54826045
2-[4-(2-phenoxyethoxy)anilino]-N-(2-prop-2-enoxyphenyl)acetamide
CID 54822803
N-[2-(3-phenylpropoxy)phenyl]-2-(4-prop-2-enoxyanilino)acetamide
CID 54821479
2-(2-prop-2-enoxyanilino)-N-(3-propoxyphenyl)acetamide
CID 54824256
2-(2-methoxyanilino)-N-[3-(2-phenylethoxy)phenyl]acetamide
CID 54817560
2-[3-(3-phenylpropoxy)anilino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 54827333
N-(2-phenylethyl)-2-(3-prop-2-enoxyanilino)acetamide
CID 54826305
N-(2,6-dimethylphenyl)-2-[3-(2-phenylethoxy)anilino]acetamide
CID 54828309
2-[4-(2-phenylethoxy)anilino]-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54823768
N-(3-chlorophenyl)-2-[3-(2-phenylethoxy)anilino]acetamide
CID 54828339

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-phenylethoxy)anilino]-N-(2-prop-2-enoxyphenyl)acetamide?
The IUPAC name of 2-[3-(2-phenylethoxy)anilino]-N-(2-prop-2-enoxyphenyl)acetamide (CID 54828312) is 2-[3-(2-phenylethoxy)anilino]-N-(2-prop-2-enoxyphenyl)acetamide.
What is the SMILES notation for 2-[3-(2-phenylethoxy)anilino]-N-(2-prop-2-enoxyphenyl)acetamide?
The canonical SMILES for 2-[3-(2-phenylethoxy)anilino]-N-(2-prop-2-enoxyphenyl)acetamide is C=CCOc1ccccc1NC(=O)CNc1cccc(OCCc2ccccc2)c1.
What is the InChIKey of 2-[3-(2-phenylethoxy)anilino]-N-(2-prop-2-enoxyphenyl)acetamide?
The InChIKey is RDXKUGXXOYIISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-2-16-30-24-14-7-6-13-23(24)27-25(28)19-26-21-11-8-12-22(18-21)29-17-15-20-9-4-3-5-10-20/h2-14,18,26H,1,15-17,19H2,(H,27,28).
What are the key properties of 2-[3-(2-phenylethoxy)anilino]-N-(2-prop-2-enoxyphenyl)acetamide?
2-[3-(2-phenylethoxy)anilino]-N-(2-prop-2-enoxyphenyl)acetamide has a molecular weight of 402.49 g/mol, XLogP of 4.92, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-phenylethoxy)anilino]-N-(2-prop-2-enoxyphenyl)acetamide is sourced from PubChem (CID 54828312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).