2-[methyl-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-phenylacetamide

C21H26N2O3 — CID 55637611

IUPAC2-[methyl-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-phenylacetamide
SMILESCc1ccc(C(C)C)c(OCC(=O)N(C)CC(=O)Nc2ccccc2)c1
InChIInChI=1S/C21H26N2O3/c1-15(2)18-11-10-16(3)12-19(18)26-14-21(25)23(4)13-20(24)22-17-8-6-5-7-9-17/h5-12,15H,13-14H2,1-4H3,(H,22,24)
InChIKeyLLJMHTKXHMBGPT-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.59
Rot. Bonds7

About 2-[methyl-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-phenylacetamide

2-[methyl-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-phenylacetamide (PubChem CID 55637611) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-[methyl-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[methyl-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-phenylacetamide
PubChem CID55637611
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name2-[methyl-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-phenylacetamide
SMILESCc1ccc(C(C)C)c(OCC(=O)N(C)CC(=O)Nc2ccccc2)c1
InChIInChI=1S/C21H26N2O3/c1-15(2)18-11-10-16(3)12-19(18)26-14-21(25)23(4)13-20(24)22-17-8-6-5-7-9-17/h5-12,15H,13-14H2,1-4H3,(H,22,24)
InChIKeyLLJMHTKXHMBGPT-UHFFFAOYSA-N
XLogP3.59
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[methyl-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-phenylacetamide 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-[methyl-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-(2-methylsulfanylphenyl)acetamide
CID 2574524
N-(3-methylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 682181
N-[3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231324
N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)-N-propan-2-ylacetamide
CID 86907722
N-(3-bromophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 1181239
3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 16618761
2-[[2-(2,4-dimethylphenoxy)acetyl]-methylamino]-N-(4-fluorophenyl)acetamide
CID 9440975
ethyl 3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 17066452
methyl 3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 4787643
2-[[2-(2,4-dimethylphenoxy)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 9438434
2-(5-methyl-2-propan-2-ylphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 921036
2-(5-methyl-2-propan-2-ylphenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 17071417

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-phenylacetamide?
The IUPAC name of 2-[methyl-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-phenylacetamide (CID 55637611) is 2-[methyl-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-phenylacetamide.
What is the SMILES notation for 2-[methyl-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-phenylacetamide?
The canonical SMILES for 2-[methyl-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-phenylacetamide is Cc1ccc(C(C)C)c(OCC(=O)N(C)CC(=O)Nc2ccccc2)c1.
What is the InChIKey of 2-[methyl-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-phenylacetamide?
The InChIKey is LLJMHTKXHMBGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-15(2)18-11-10-16(3)12-19(18)26-14-21(25)23(4)13-20(24)22-17-8-6-5-7-9-17/h5-12,15H,13-14H2,1-4H3,(H,22,24).
What are the key properties of 2-[methyl-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-phenylacetamide?
2-[methyl-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-phenylacetamide has a molecular weight of 354.45 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-phenylacetamide is sourced from PubChem (CID 55637611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).