2-[[3-[3-(4-butylphenyl)-2-oxopropyl]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid

C31H33NO5 — CID 174782776

IUPAC2-[[3-[3-(4-butylphenyl)-2-oxopropyl]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
SMILESCCCCc1ccc(CC(=O)Cc2cc(C(=O)NC3(C(=O)O)Cc4ccccc4C3)ccc2OC)cc1
InChIInChI=1S/C31H33NO5/c1-3-4-7-21-10-12-22(13-11-21)16-27(33)18-26-17-23(14-15-28(26)37-2)29(34)32-31(30(35)36)19-24-8-5-6-9-25(24)20-31/h5-6,8-15,17H,3-4,7,16,18-20H2,1-2H3,(H,32,34)(H,35,36)
InChIKeyIQYNFVZDGOEDTE-UHFFFAOYSA-N
MW499.61 g/mol
LogP4.74
Rot. Bonds11

About 2-[[3-[3-(4-butylphenyl)-2-oxopropyl]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid

2-[[3-[3-(4-butylphenyl)-2-oxopropyl]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid (PubChem CID 174782776) has the molecular formula C31H33NO5 and a molecular weight of 499.61 g/mol. Its IUPAC name is 2-[[3-[3-(4-butylphenyl)-2-oxopropyl]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name2-[[3-[3-(4-butylphenyl)-2-oxopropyl]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
PubChem CID174782776
Molecular FormulaC31H33NO5
Molecular Weight499.61 g/mol
Exact Mass499.24
IUPAC Name2-[[3-[3-(4-butylphenyl)-2-oxopropyl]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
SMILESCCCCc1ccc(CC(=O)Cc2cc(C(=O)NC3(C(=O)O)Cc4ccccc4C3)ccc2OC)cc1
InChIInChI=1S/C31H33NO5/c1-3-4-7-21-10-12-22(13-11-21)16-27(33)18-26-17-23(14-15-28(26)37-2)29(34)32-31(30(35)36)19-24-8-5-6-9-25(24)20-31/h5-6,8-15,17H,3-4,7,16,18-20H2,1-2H3,(H,32,34)(H,35,36)
InChIKeyIQYNFVZDGOEDTE-UHFFFAOYSA-N
XLogP4.74
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.61
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[3-[3-(4-butylphenyl)-2-oxopropyl]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid with MolForge

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Related Compounds

2-[[4-methoxy-3-[(3-methylphenyl)methyl]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 67076698
1-[[4-[4-[3-(4-butylphenyl)-2-oxopropyl]phenyl]benzoyl]amino]cyclopropane-1-carboxylic acid
CID 59150884
methyl 2-[(3-hydroxy-4-methoxybenzoyl)amino]-1,3-dihydroindene-2-carboxylate
CID 67076518
2-[[3-[2-(2-fluorophenyl)-2-hydroxyethoxy]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 67076742
5-methoxy-2-[[4-methoxy-3-[2-(3-methylphenyl)ethoxy]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 67076274
2-[[3-[2-(3-chlorophenyl)-2,2-difluoroethoxy]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 67076670
2-[[4-methoxycarbonyl-3-[2-(3-methylphenyl)ethoxy]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 142764641
methyl 2-[[3-[(4-fluorobenzoyl)amino]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylate
CID 142764640
2-[(3,5-diphenylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid
CID 68553742
N-(3-acetamido-4-methoxyphenyl)-4-butylbenzamide
CID 24666778
2-[[2-bromo-5-[2-(3-chlorophenyl)ethoxy]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 67076755
4-butyl-N'-(4-phenylbenzoyl)benzohydrazide
CID 4296967

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[3-(4-butylphenyl)-2-oxopropyl]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 2-[[3-[3-(4-butylphenyl)-2-oxopropyl]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid (CID 174782776) is 2-[[3-[3-(4-butylphenyl)-2-oxopropyl]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 2-[[3-[3-(4-butylphenyl)-2-oxopropyl]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 2-[[3-[3-(4-butylphenyl)-2-oxopropyl]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid is CCCCc1ccc(CC(=O)Cc2cc(C(=O)NC3(C(=O)O)Cc4ccccc4C3)ccc2OC)cc1.
What is the InChIKey of 2-[[3-[3-(4-butylphenyl)-2-oxopropyl]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is IQYNFVZDGOEDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33NO5/c1-3-4-7-21-10-12-22(13-11-21)16-27(33)18-26-17-23(14-15-28(26)37-2)29(34)32-31(30(35)36)19-24-8-5-6-9-25(24)20-31/h5-6,8-15,17H,3-4,7,16,18-20H2,1-2H3,(H,32,34)(H,35,36).
What are the key properties of 2-[[3-[3-(4-butylphenyl)-2-oxopropyl]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid?
2-[[3-[3-(4-butylphenyl)-2-oxopropyl]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 499.61 g/mol, XLogP of 4.74, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[3-(4-butylphenyl)-2-oxopropyl]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 174782776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).