2-(2,6-dimethylphenoxy)-N-[4-(3-methylbutoxy)phenyl]acetamide

C21H27NO3 — CID 4949731

IUPAC2-(2,6-dimethylphenoxy)-N-[4-(3-methylbutoxy)phenyl]acetamide
SMILESCc1cccc(C)c1OCC(=O)Nc1ccc(OCCC(C)C)cc1
InChIInChI=1S/C21H27NO3/c1-15(2)12-13-24-19-10-8-18(9-11-19)22-20(23)14-25-21-16(3)6-5-7-17(21)4/h5-11,15H,12-14H2,1-4H3,(H,22,23)
InChIKeySWIZAVVFOQWYLT-UHFFFAOYSA-N
MW341.45 g/mol
LogP4.75
Rot. Bonds8

About 2-(2,6-dimethylphenoxy)-N-[4-(3-methylbutoxy)phenyl]acetamide

2-(2,6-dimethylphenoxy)-N-[4-(3-methylbutoxy)phenyl]acetamide (PubChem CID 4949731) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is 2-(2,6-dimethylphenoxy)-N-[4-(3-methylbutoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,6-dimethylphenoxy)-N-[4-(3-methylbutoxy)phenyl]acetamide
PubChem CID4949731
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name2-(2,6-dimethylphenoxy)-N-[4-(3-methylbutoxy)phenyl]acetamide
SMILESCc1cccc(C)c1OCC(=O)Nc1ccc(OCCC(C)C)cc1
InChIInChI=1S/C21H27NO3/c1-15(2)12-13-24-19-10-8-18(9-11-19)22-20(23)14-25-21-16(3)6-5-7-17(21)4/h5-11,15H,12-14H2,1-4H3,(H,22,23)
InChIKeySWIZAVVFOQWYLT-UHFFFAOYSA-N
XLogP4.75
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2,6-dimethylphenoxy)-N-[4-(3-methylbutoxy)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

2-(4-methoxyphenoxy)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 4949852
2-(2,6-dimethylphenoxy)-N-(4-methoxyphenyl)acetamide
CID 835384
N-[4-(3-methylbutoxy)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 4949733
2-(2,6-dimethylphenoxy)-N-[4-(3-phenylpropoxy)phenyl]acetamide
CID 17130083
2-(2,6-dimethylphenoxy)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 55474451
2-(2,6-dimethylphenoxy)-N-(4-fluorophenyl)acetamide
CID 776559
N'-[2-(2,6-dimethylphenoxy)acetyl]-3-(3-methylbutoxy)benzohydrazide
CID 4981787
2-(2-bromo-4,6-dichlorophenoxy)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 17095423
methyl 3-[4-(3-methylbutoxy)anilino]-3-oxopropanoate
CID 28638022
N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]-2-(2-methylphenyl)acetamide
CID 26163959
2-[4-(3-methylbutoxy)phenoxy]-N-naphthalen-1-ylacetamide
CID 4732901
N-[4-(3-methylbutoxy)phenyl]-2-(4-propoxyanilino)acetamide
CID 54820417

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenoxy)-N-[4-(3-methylbutoxy)phenyl]acetamide?
The IUPAC name of 2-(2,6-dimethylphenoxy)-N-[4-(3-methylbutoxy)phenyl]acetamide (CID 4949731) is 2-(2,6-dimethylphenoxy)-N-[4-(3-methylbutoxy)phenyl]acetamide.
What is the SMILES notation for 2-(2,6-dimethylphenoxy)-N-[4-(3-methylbutoxy)phenyl]acetamide?
The canonical SMILES for 2-(2,6-dimethylphenoxy)-N-[4-(3-methylbutoxy)phenyl]acetamide is Cc1cccc(C)c1OCC(=O)Nc1ccc(OCCC(C)C)cc1.
What is the InChIKey of 2-(2,6-dimethylphenoxy)-N-[4-(3-methylbutoxy)phenyl]acetamide?
The InChIKey is SWIZAVVFOQWYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-15(2)12-13-24-19-10-8-18(9-11-19)22-20(23)14-25-21-16(3)6-5-7-17(21)4/h5-11,15H,12-14H2,1-4H3,(H,22,23).
What are the key properties of 2-(2,6-dimethylphenoxy)-N-[4-(3-methylbutoxy)phenyl]acetamide?
2-(2,6-dimethylphenoxy)-N-[4-(3-methylbutoxy)phenyl]acetamide has a molecular weight of 341.45 g/mol, XLogP of 4.75, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenoxy)-N-[4-(3-methylbutoxy)phenyl]acetamide is sourced from PubChem (CID 4949731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).