2-[3-[4-(3-methoxyphenyl)phenyl]propanoylamino]benzoic acid

C23H21NO4 — CID 11646494

IUPAC2-[3-[4-(3-methoxyphenyl)phenyl]propanoylamino]benzoic acid
SMILESCOc1cccc(-c2ccc(CCC(=O)Nc3ccccc3C(=O)O)cc2)c1
InChIInChI=1S/C23H21NO4/c1-28-19-6-4-5-18(15-19)17-12-9-16(10-13-17)11-14-22(25)24-21-8-3-2-7-20(21)23(26)27/h2-10,12-13,15H,11,14H2,1H3,(H,24,25)(H,26,27)
InChIKeyOLHYEMWEPZTOPS-UHFFFAOYSA-N
MW375.42 g/mol
LogP4.63
Rot. Bonds7

About 2-[3-[4-(3-methoxyphenyl)phenyl]propanoylamino]benzoic acid

2-[3-[4-(3-methoxyphenyl)phenyl]propanoylamino]benzoic acid (PubChem CID 11646494) has the molecular formula C23H21NO4 and a molecular weight of 375.42 g/mol. Its IUPAC name is 2-[3-[4-(3-methoxyphenyl)phenyl]propanoylamino]benzoic acid.

Molecular Properties

Compound Name2-[3-[4-(3-methoxyphenyl)phenyl]propanoylamino]benzoic acid
PubChem CID11646494
Molecular FormulaC23H21NO4
Molecular Weight375.42 g/mol
Exact Mass375.15
IUPAC Name2-[3-[4-(3-methoxyphenyl)phenyl]propanoylamino]benzoic acid
SMILESCOc1cccc(-c2ccc(CCC(=O)Nc3ccccc3C(=O)O)cc2)c1
InChIInChI=1S/C23H21NO4/c1-28-19-6-4-5-18(15-19)17-12-9-16(10-13-17)11-14-22(25)24-21-8-3-2-7-20(21)23(26)27/h2-10,12-13,15H,11,14H2,1H3,(H,24,25)(H,26,27)
InChIKeyOLHYEMWEPZTOPS-UHFFFAOYSA-N
XLogP4.63
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[3-[4-(3-methoxyphenyl)phenyl]propanoylamino]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-[3-[4-(3-methoxyphenyl)phenyl]propanoylamino]benzoic acid?
The IUPAC name of 2-[3-[4-(3-methoxyphenyl)phenyl]propanoylamino]benzoic acid (CID 11646494) is 2-[3-[4-(3-methoxyphenyl)phenyl]propanoylamino]benzoic acid.
What is the SMILES notation for 2-[3-[4-(3-methoxyphenyl)phenyl]propanoylamino]benzoic acid?
The canonical SMILES for 2-[3-[4-(3-methoxyphenyl)phenyl]propanoylamino]benzoic acid is COc1cccc(-c2ccc(CCC(=O)Nc3ccccc3C(=O)O)cc2)c1.
What is the InChIKey of 2-[3-[4-(3-methoxyphenyl)phenyl]propanoylamino]benzoic acid?
The InChIKey is OLHYEMWEPZTOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO4/c1-28-19-6-4-5-18(15-19)17-12-9-16(10-13-17)11-14-22(25)24-21-8-3-2-7-20(21)23(26)27/h2-10,12-13,15H,11,14H2,1H3,(H,24,25)(H,26,27).
What are the key properties of 2-[3-[4-(3-methoxyphenyl)phenyl]propanoylamino]benzoic acid?
2-[3-[4-(3-methoxyphenyl)phenyl]propanoylamino]benzoic acid has a molecular weight of 375.42 g/mol, XLogP of 4.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(3-methoxyphenyl)phenyl]propanoylamino]benzoic acid is sourced from PubChem (CID 11646494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).