2-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoic acid

C19H21NO4 — CID 4268702

IUPAC2-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoic acid
SMILESCC(C)(C)c1ccc(OCC(=O)Nc2ccccc2C(=O)O)cc1
InChIInChI=1S/C19H21NO4/c1-19(2,3)13-8-10-14(11-9-13)24-12-17(21)20-16-7-5-4-6-15(16)18(22)23/h4-11H,12H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyRZQIBGXCHZEONC-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.70
Rot. Bonds5

About 2-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoic acid

2-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoic acid (PubChem CID 4268702) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoic acid
PubChem CID4268702
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name2-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoic acid
SMILESCC(C)(C)c1ccc(OCC(=O)Nc2ccccc2C(=O)O)cc1
InChIInChI=1S/C19H21NO4/c1-19(2,3)13-8-10-14(11-9-13)24-12-17(21)20-16-7-5-4-6-15(16)18(22)23/h4-11H,12H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyRZQIBGXCHZEONC-UHFFFAOYSA-N
XLogP3.70
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoic acid?
The IUPAC name of 2-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoic acid (CID 4268702) is 2-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoic acid.
What is the SMILES notation for 2-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoic acid?
The canonical SMILES for 2-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoic acid is CC(C)(C)c1ccc(OCC(=O)Nc2ccccc2C(=O)O)cc1.
What is the InChIKey of 2-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoic acid?
The InChIKey is RZQIBGXCHZEONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-19(2,3)13-8-10-14(11-9-13)24-12-17(21)20-16-7-5-4-6-15(16)18(22)23/h4-11H,12H2,1-3H3,(H,20,21)(H,22,23).
What are the key properties of 2-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoic acid?
2-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoic acid has a molecular weight of 327.38 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoic acid is sourced from PubChem (CID 4268702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).