4-[[(4-tert-butylbenzoyl)amino]methyl]benzoic acid

C19H21NO3 — CID 17360242

IUPAC4-[[(4-tert-butylbenzoyl)amino]methyl]benzoic acid
SMILESCC(C)(C)c1ccc(C(=O)NCc2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C19H21NO3/c1-19(2,3)16-10-8-14(9-11-16)17(21)20-12-13-4-6-15(7-5-13)18(22)23/h4-11H,12H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyIAIHUFPLLGSWNY-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.61
Rot. Bonds4

About 4-[[(4-tert-butylbenzoyl)amino]methyl]benzoic acid

4-[[(4-tert-butylbenzoyl)amino]methyl]benzoic acid (PubChem CID 17360242) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 4-[[(4-tert-butylbenzoyl)amino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[(4-tert-butylbenzoyl)amino]methyl]benzoic acid
PubChem CID17360242
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name4-[[(4-tert-butylbenzoyl)amino]methyl]benzoic acid
SMILESCC(C)(C)c1ccc(C(=O)NCc2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C19H21NO3/c1-19(2,3)16-10-8-14(9-11-16)17(21)20-12-13-4-6-15(7-5-13)18(22)23/h4-11H,12H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyIAIHUFPLLGSWNY-UHFFFAOYSA-N
XLogP3.61
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[[(4-tert-butylbenzoyl)amino]methyl]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 4-[[(4-tert-butylbenzoyl)amino]methyl]benzoic acid?
The IUPAC name of 4-[[(4-tert-butylbenzoyl)amino]methyl]benzoic acid (CID 17360242) is 4-[[(4-tert-butylbenzoyl)amino]methyl]benzoic acid.
What is the SMILES notation for 4-[[(4-tert-butylbenzoyl)amino]methyl]benzoic acid?
The canonical SMILES for 4-[[(4-tert-butylbenzoyl)amino]methyl]benzoic acid is CC(C)(C)c1ccc(C(=O)NCc2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-[[(4-tert-butylbenzoyl)amino]methyl]benzoic acid?
The InChIKey is IAIHUFPLLGSWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-19(2,3)16-10-8-14(9-11-16)17(21)20-12-13-4-6-15(7-5-13)18(22)23/h4-11H,12H2,1-3H3,(H,20,21)(H,22,23).
What are the key properties of 4-[[(4-tert-butylbenzoyl)amino]methyl]benzoic acid?
4-[[(4-tert-butylbenzoyl)amino]methyl]benzoic acid has a molecular weight of 311.38 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-tert-butylbenzoyl)amino]methyl]benzoic acid is sourced from PubChem (CID 17360242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).