2-(3-tert-butylphenoxy)-N-(2,4-dimethylphenyl)acetamide

C20H25NO2 — CID 112977615

IUPAC2-(3-tert-butylphenoxy)-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2cccc(C(C)(C)C)c2)c(C)c1
InChIInChI=1S/C20H25NO2/c1-14-9-10-18(15(2)11-14)21-19(22)13-23-17-8-6-7-16(12-17)20(3,4)5/h6-12H,13H2,1-5H3,(H,21,22)
InChIKeyVQZCWEHTRXOYAA-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.62
Rot. Bonds4

About 2-(3-tert-butylphenoxy)-N-(2,4-dimethylphenyl)acetamide

2-(3-tert-butylphenoxy)-N-(2,4-dimethylphenyl)acetamide (PubChem CID 112977615) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-(3-tert-butylphenoxy)-N-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-tert-butylphenoxy)-N-(2,4-dimethylphenyl)acetamide
PubChem CID112977615
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name2-(3-tert-butylphenoxy)-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2cccc(C(C)(C)C)c2)c(C)c1
InChIInChI=1S/C20H25NO2/c1-14-9-10-18(15(2)11-14)21-19(22)13-23-17-8-6-7-16(12-17)20(3,4)5/h6-12H,13H2,1-5H3,(H,21,22)
InChIKeyVQZCWEHTRXOYAA-UHFFFAOYSA-N
XLogP4.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-tert-butylphenoxy)-N-(2,4-dimethylphenyl)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

2-(3-aminophenoxy)-N-(2,4-dimethylphenyl)acetamide
CID 39107625
2-(3-tert-butylphenoxy)-N-(5-fluoro-2-methylphenyl)acetamide
CID 42989700
N-(4-fluoro-2-methylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 7980515
2-(3-tert-butylphenoxy)-N-(2-ethylphenyl)acetamide
CID 112977620
N-(2,4-dimethylphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093188
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate
CID 7855552
4-[2-(2,4-dimethylanilino)-2-oxoethoxy]benzoic acid
CID 4026014
N-(2,4-dimethylphenyl)-2-(4-methoxyphenoxy)acetamide
CID 625191
methyl 2-[[2-(3-tert-butylphenoxy)acetyl]amino]benzoate
CID 112977644
2-(4-bromophenoxy)-N-(2,4-dimethylphenyl)acetamide
CID 874144
2-(3-tert-butylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 112977555
N-(4-bromo-2-methylphenyl)-2-(3-methylphenoxy)acetamide;oxalic acid
CID 171154737

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butylphenoxy)-N-(2,4-dimethylphenyl)acetamide?
The IUPAC name of 2-(3-tert-butylphenoxy)-N-(2,4-dimethylphenyl)acetamide (CID 112977615) is 2-(3-tert-butylphenoxy)-N-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(3-tert-butylphenoxy)-N-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-(3-tert-butylphenoxy)-N-(2,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)COc2cccc(C(C)(C)C)c2)c(C)c1.
What is the InChIKey of 2-(3-tert-butylphenoxy)-N-(2,4-dimethylphenyl)acetamide?
The InChIKey is VQZCWEHTRXOYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-14-9-10-18(15(2)11-14)21-19(22)13-23-17-8-6-7-16(12-17)20(3,4)5/h6-12H,13H2,1-5H3,(H,21,22).
What are the key properties of 2-(3-tert-butylphenoxy)-N-(2,4-dimethylphenyl)acetamide?
2-(3-tert-butylphenoxy)-N-(2,4-dimethylphenyl)acetamide has a molecular weight of 311.43 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butylphenoxy)-N-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 112977615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).