2-[4-(2-methylbutan-2-yl)phenoxy]-N-[4-(2-phenoxyethoxy)phenyl]acetamide

C27H31NO4 — CID 17093306

IUPAC2-[4-(2-methylbutan-2-yl)phenoxy]-N-[4-(2-phenoxyethoxy)phenyl]acetamide
SMILESCCC(C)(C)c1ccc(OCC(=O)Nc2ccc(OCCOc3ccccc3)cc2)cc1
InChIInChI=1S/C27H31NO4/c1-4-27(2,3)21-10-14-25(15-11-21)32-20-26(29)28-22-12-16-24(17-13-22)31-19-18-30-23-8-6-5-7-9-23/h5-17H,4,18-20H2,1-3H3,(H,28,29)
InChIKeyFVURAWMRUWVHGB-UHFFFAOYSA-N
MW433.55 g/mol
LogP5.85
Rot. Bonds11

About 2-[4-(2-methylbutan-2-yl)phenoxy]-N-[4-(2-phenoxyethoxy)phenyl]acetamide

2-[4-(2-methylbutan-2-yl)phenoxy]-N-[4-(2-phenoxyethoxy)phenyl]acetamide (PubChem CID 17093306) has the molecular formula C27H31NO4 and a molecular weight of 433.55 g/mol. Its IUPAC name is 2-[4-(2-methylbutan-2-yl)phenoxy]-N-[4-(2-phenoxyethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(2-methylbutan-2-yl)phenoxy]-N-[4-(2-phenoxyethoxy)phenyl]acetamide
PubChem CID17093306
Molecular FormulaC27H31NO4
Molecular Weight433.55 g/mol
Exact Mass433.23
IUPAC Name2-[4-(2-methylbutan-2-yl)phenoxy]-N-[4-(2-phenoxyethoxy)phenyl]acetamide
SMILESCCC(C)(C)c1ccc(OCC(=O)Nc2ccc(OCCOc3ccccc3)cc2)cc1
InChIInChI=1S/C27H31NO4/c1-4-27(2,3)21-10-14-25(15-11-21)32-20-26(29)28-22-12-16-24(17-13-22)31-19-18-30-23-8-6-5-7-9-23/h5-17H,4,18-20H2,1-3H3,(H,28,29)
InChIKeyFVURAWMRUWVHGB-UHFFFAOYSA-N
XLogP5.85
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.55
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-(2-methylbutan-2-yl)phenoxy]-N-[4-(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

Related Compounds

N-(4-anilinophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093194
N-(4-fluorophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093193
N-(4-bromophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093191
2-(4-ethylphenoxy)-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 4958186
2-(4-tert-butylphenoxy)-N-phenylacetamide
CID 963342
N-(3-ethoxyphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17098223
2-(4-tert-butylphenoxy)-N-(4-propoxyphenyl)acetamide
CID 4945067
N-[4-(tert-butylsulfamoyl)phenyl]-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093244
N-(3-acetylphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093218
N-(2-fluorophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093259
2-[4-(2-methylbutan-2-yl)phenoxy]-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 17093314
2-[4-(2-methylbutan-2-yl)phenoxy]-N-[4-(propylsulfamoyl)phenyl]acetamide
CID 17093270

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylbutan-2-yl)phenoxy]-N-[4-(2-phenoxyethoxy)phenyl]acetamide?
The IUPAC name of 2-[4-(2-methylbutan-2-yl)phenoxy]-N-[4-(2-phenoxyethoxy)phenyl]acetamide (CID 17093306) is 2-[4-(2-methylbutan-2-yl)phenoxy]-N-[4-(2-phenoxyethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[4-(2-methylbutan-2-yl)phenoxy]-N-[4-(2-phenoxyethoxy)phenyl]acetamide?
The canonical SMILES for 2-[4-(2-methylbutan-2-yl)phenoxy]-N-[4-(2-phenoxyethoxy)phenyl]acetamide is CCC(C)(C)c1ccc(OCC(=O)Nc2ccc(OCCOc3ccccc3)cc2)cc1.
What is the InChIKey of 2-[4-(2-methylbutan-2-yl)phenoxy]-N-[4-(2-phenoxyethoxy)phenyl]acetamide?
The InChIKey is FVURAWMRUWVHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31NO4/c1-4-27(2,3)21-10-14-25(15-11-21)32-20-26(29)28-22-12-16-24(17-13-22)31-19-18-30-23-8-6-5-7-9-23/h5-17H,4,18-20H2,1-3H3,(H,28,29).
What are the key properties of 2-[4-(2-methylbutan-2-yl)phenoxy]-N-[4-(2-phenoxyethoxy)phenyl]acetamide?
2-[4-(2-methylbutan-2-yl)phenoxy]-N-[4-(2-phenoxyethoxy)phenyl]acetamide has a molecular weight of 433.55 g/mol, XLogP of 5.85, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylbutan-2-yl)phenoxy]-N-[4-(2-phenoxyethoxy)phenyl]acetamide is sourced from PubChem (CID 17093306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).