methyl 2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]benzoate

C21H25NO4 — CID 19169245

IUPACmethyl 2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)COc1ccc(C)cc1C(C)(C)C
InChIInChI=1S/C21H25NO4/c1-14-10-11-18(16(12-14)21(2,3)4)26-13-19(23)22-17-9-7-6-8-15(17)20(24)25-5/h6-12H,13H2,1-5H3,(H,22,23)
InChIKeyWCDJBXRJVFOXPG-UHFFFAOYSA-N
MW355.43 g/mol
LogP4.10
Rot. Bonds5

About methyl 2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]benzoate

methyl 2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]benzoate (PubChem CID 19169245) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is methyl 2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]benzoate
PubChem CID19169245
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Namemethyl 2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)COc1ccc(C)cc1C(C)(C)C
InChIInChI=1S/C21H25NO4/c1-14-10-11-18(16(12-14)21(2,3)4)26-13-19(23)22-17-9-7-6-8-15(17)20(24)25-5/h6-12H,13H2,1-5H3,(H,22,23)
InChIKeyWCDJBXRJVFOXPG-UHFFFAOYSA-N
XLogP4.10
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]benzoate 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

ethyl 2-[[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]amino]benzoate
CID 35270938
ethyl 2-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]benzoate
CID 19171971
methyl 2-[[2-(4-methylphenoxy)acetyl]amino]benzoate
CID 836161
methyl 2-[[2-(2,4-difluorophenoxy)acetyl]amino]benzoate
CID 797161
methyl 2-[[2-(3-tert-butylphenoxy)acetyl]amino]benzoate
CID 112977644
2-(2,4-ditert-butylphenoxy)-N-(2,5-dimethylphenyl)acetamide
CID 17356490
2-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 17150400
4-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]-3-hydroxybenzoic acid
CID 108766535
2-[[2-(2,4-dimethylphenoxy)acetyl]amino]benzoic acid
CID 45426301
2-(2-tert-butyl-5-methylphenoxy)-N-(2-chlorophenyl)acetamide
CID 725942
methyl 2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]benzoate
CID 1213645
2-(2-tert-butyl-5-methylphenoxy)-N-(2-ethylphenyl)acetamide
CID 19168145

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]benzoate (CID 19169245) is methyl 2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)COc1ccc(C)cc1C(C)(C)C.
What is the InChIKey of methyl 2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]benzoate?
The InChIKey is WCDJBXRJVFOXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-14-10-11-18(16(12-14)21(2,3)4)26-13-19(23)22-17-9-7-6-8-15(17)20(24)25-5/h6-12H,13H2,1-5H3,(H,22,23).
What are the key properties of methyl 2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]benzoate?
methyl 2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]benzoate has a molecular weight of 355.43 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]benzoate is sourced from PubChem (CID 19169245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).