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

C23H21NO4 — CID 11595935

IUPAC2-[3-[4-(2-methoxyphenyl)phenyl]propanoylamino]benzoic acid
SMILESCOc1ccccc1-c1ccc(CCC(=O)Nc2ccccc2C(=O)O)cc1
InChIInChI=1S/C23H21NO4/c1-28-21-9-5-3-6-18(21)17-13-10-16(11-14-17)12-15-22(25)24-20-8-4-2-7-19(20)23(26)27/h2-11,13-14H,12,15H2,1H3,(H,24,25)(H,26,27)
InChIKeyZOUGJUFRPJCLCC-UHFFFAOYSA-N
MW375.42 g/mol
LogP4.63
Rot. Bonds7

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

2-[3-[4-(2-methoxyphenyl)phenyl]propanoylamino]benzoic acid (PubChem CID 11595935) has the molecular formula C23H21NO4 and a molecular weight of 375.42 g/mol. Its IUPAC name is 2-[3-[4-(2-methoxyphenyl)phenyl]propanoylamino]benzoic acid.

Molecular Properties

Compound Name2-[3-[4-(2-methoxyphenyl)phenyl]propanoylamino]benzoic acid
PubChem CID11595935
Molecular FormulaC23H21NO4
Molecular Weight375.42 g/mol
Exact Mass375.15
IUPAC Name2-[3-[4-(2-methoxyphenyl)phenyl]propanoylamino]benzoic acid
SMILESCOc1ccccc1-c1ccc(CCC(=O)Nc2ccccc2C(=O)O)cc1
InChIInChI=1S/C23H21NO4/c1-28-21-9-5-3-6-18(21)17-13-10-16(11-14-17)12-15-22(25)24-20-8-4-2-7-19(20)23(26)27/h2-11,13-14H,12,15H2,1H3,(H,24,25)(H,26,27)
InChIKeyZOUGJUFRPJCLCC-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

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Related Compounds

Tranilast
CID 5282230
Anthranilic acid, N-(3-methoxyphenyl)-
CID 119702
2-[(4-Methoxyphenyl)amino]benzoic acid
CID 202918
N-(3',4'-dimethoxycinnamoyl)anthranilic acid
CID 5527
2-(((E)-3-(4-hydroxyphenyl)prop-2-enoyl)amino)benzoic acid
CID 6443019
2,2'-((3,3'-Dimethoxy(1,1'-biphenyl)-4,4'-diyl)diimino)bis-benzoic acid
CID 72571
2-(2-Methoxyphenylamino)benzoic acid
CID 202774
2-((4-Phenoxyanilino)carbonyl)benzoic acid
CID 736198
5-Methyl-2-(1-methylethyl)phenyl 2-((2,3-dimethylphenyl)amino)benzoate
CID 209910
2-(4-Methoxybenzamido)benzoic acid
CID 721421
Avenanthramide E
CID 10245047
2-[(Biphenyl-4-ylcarbonyl)amino]benzoic acid
CID 914489

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(2-methoxyphenyl)phenyl]propanoylamino]benzoic acid?
The IUPAC name of 2-[3-[4-(2-methoxyphenyl)phenyl]propanoylamino]benzoic acid (CID 11595935) is 2-[3-[4-(2-methoxyphenyl)phenyl]propanoylamino]benzoic acid.
What is the SMILES notation for 2-[3-[4-(2-methoxyphenyl)phenyl]propanoylamino]benzoic acid?
The canonical SMILES for 2-[3-[4-(2-methoxyphenyl)phenyl]propanoylamino]benzoic acid is COc1ccccc1-c1ccc(CCC(=O)Nc2ccccc2C(=O)O)cc1.
What is the InChIKey of 2-[3-[4-(2-methoxyphenyl)phenyl]propanoylamino]benzoic acid?
The InChIKey is ZOUGJUFRPJCLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO4/c1-28-21-9-5-3-6-18(21)17-13-10-16(11-14-17)12-15-22(25)24-20-8-4-2-7-19(20)23(26)27/h2-11,13-14H,12,15H2,1H3,(H,24,25)(H,26,27).
What are the key properties of 2-[3-[4-(2-methoxyphenyl)phenyl]propanoylamino]benzoic acid?
2-[3-[4-(2-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-(2-methoxyphenyl)phenyl]propanoylamino]benzoic acid is sourced from PubChem (CID 11595935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).