2-[[4-methoxy-3-[(3-methylphenyl)methyl]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid

C26H25NO4 — CID 67076698

IUPAC2-[[4-methoxy-3-[(3-methylphenyl)methyl]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
SMILESCOc1ccc(C(=O)NC2(C(=O)O)Cc3ccccc3C2)cc1Cc1cccc(C)c1
InChIInChI=1S/C26H25NO4/c1-17-6-5-7-18(12-17)13-22-14-19(10-11-23(22)31-2)24(28)27-26(25(29)30)15-20-8-3-4-9-21(20)16-26/h3-12,14H,13,15-16H2,1-2H3,(H,27,28)(H,29,30)
InChIKeyFWDWVSCDKYQESF-UHFFFAOYSA-N
MW415.49 g/mol
LogP3.95
Rot. Bonds6

About 2-[[4-methoxy-3-[(3-methylphenyl)methyl]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid

2-[[4-methoxy-3-[(3-methylphenyl)methyl]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid (PubChem CID 67076698) has the molecular formula C26H25NO4 and a molecular weight of 415.49 g/mol. Its IUPAC name is 2-[[4-methoxy-3-[(3-methylphenyl)methyl]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name2-[[4-methoxy-3-[(3-methylphenyl)methyl]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
PubChem CID67076698
Molecular FormulaC26H25NO4
Molecular Weight415.49 g/mol
Exact Mass415.18
IUPAC Name2-[[4-methoxy-3-[(3-methylphenyl)methyl]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
SMILESCOc1ccc(C(=O)NC2(C(=O)O)Cc3ccccc3C2)cc1Cc1cccc(C)c1
InChIInChI=1S/C26H25NO4/c1-17-6-5-7-18(12-17)13-22-14-19(10-11-23(22)31-2)24(28)27-26(25(29)30)15-20-8-3-4-9-21(20)16-26/h3-12,14H,13,15-16H2,1-2H3,(H,27,28)(H,29,30)
InChIKeyFWDWVSCDKYQESF-UHFFFAOYSA-N
XLogP3.95
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[4-methoxy-3-[(3-methylphenyl)methyl]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid with MolForge

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Related Compounds

5-methoxy-2-[[4-methoxy-3-[2-(3-methylphenyl)ethoxy]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 67076274
2-[[4-methoxycarbonyl-3-[2-(3-methylphenyl)ethoxy]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 142764641
2-[[3-[3-(4-butylphenyl)-2-oxopropyl]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 174782776
4,7-difluoro-2-[[4-methoxy-3-[2-(3-methylphenyl)ethoxy]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 67076632
2-[[4-(1-hydroxyethyl)-3-[2-(3-methylphenyl)ethoxy]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 67076562
2-[[4-cyano-3-[2-(3-methylphenyl)ethylamino]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 67076798
4-methoxy-N-(2-methyl-1,3-dihydroinden-2-yl)-3-[2-(3-methylphenyl)ethoxy]benzamide
CID 169173043
methyl 2-[(3-hydroxy-4-methoxybenzoyl)amino]-1,3-dihydroindene-2-carboxylate
CID 67076518
1-[[4-methoxy-3-[2-(3-methylphenyl)ethoxy]benzoyl]amino]-4-methylcyclohexane-1-carboxylic acid
CID 67168523
3-[[4-methoxy-3-[2-(3-methylphenyl)ethoxy]benzoyl]amino]bicyclo[3.2.1]octane-3-carboxylic acid
CID 171353944
3-[(2-methoxy-5-methylphenyl)methyl]benzoic acid
CID 116927115
2-[[3-[2-(3-chlorophenyl)-2,2-difluoroethoxy]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 67076670

Frequently Asked Questions

What is the IUPAC name of 2-[[4-methoxy-3-[(3-methylphenyl)methyl]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 2-[[4-methoxy-3-[(3-methylphenyl)methyl]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid (CID 67076698) is 2-[[4-methoxy-3-[(3-methylphenyl)methyl]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 2-[[4-methoxy-3-[(3-methylphenyl)methyl]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 2-[[4-methoxy-3-[(3-methylphenyl)methyl]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid is COc1ccc(C(=O)NC2(C(=O)O)Cc3ccccc3C2)cc1Cc1cccc(C)c1.
What is the InChIKey of 2-[[4-methoxy-3-[(3-methylphenyl)methyl]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is FWDWVSCDKYQESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO4/c1-17-6-5-7-18(12-17)13-22-14-19(10-11-23(22)31-2)24(28)27-26(25(29)30)15-20-8-3-4-9-21(20)16-26/h3-12,14H,13,15-16H2,1-2H3,(H,27,28)(H,29,30).
What are the key properties of 2-[[4-methoxy-3-[(3-methylphenyl)methyl]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid?
2-[[4-methoxy-3-[(3-methylphenyl)methyl]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 415.49 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-methoxy-3-[(3-methylphenyl)methyl]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 67076698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).