2-[[3-methyl-2-(2-methylpropyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid

C22H25NO3 — CID 25160671

IUPAC2-[[3-methyl-2-(2-methylpropyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
SMILESCc1cccc(C(=O)NC2(C(=O)O)Cc3ccccc3C2)c1CC(C)C
InChIInChI=1S/C22H25NO3/c1-14(2)11-19-15(3)7-6-10-18(19)20(24)23-22(21(25)26)12-16-8-4-5-9-17(16)13-22/h4-10,14H,11-13H2,1-3H3,(H,23,24)(H,25,26)
InChIKeyCVZZXXPJPJIHNE-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.55
Rot. Bonds5

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

2-[[3-methyl-2-(2-methylpropyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid (PubChem CID 25160671) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-[[3-methyl-2-(2-methylpropyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name2-[[3-methyl-2-(2-methylpropyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
PubChem CID25160671
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC Name2-[[3-methyl-2-(2-methylpropyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
SMILESCc1cccc(C(=O)NC2(C(=O)O)Cc3ccccc3C2)c1CC(C)C
InChIInChI=1S/C22H25NO3/c1-14(2)11-19-15(3)7-6-10-18(19)20(24)23-22(21(25)26)12-16-8-4-5-9-17(16)13-22/h4-10,14H,11-13H2,1-3H3,(H,23,24)(H,25,26)
InChIKeyCVZZXXPJPJIHNE-UHFFFAOYSA-N
XLogP3.55
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-methyl-2-(2-methylpropyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 2-[[3-methyl-2-(2-methylpropyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid (CID 25160671) is 2-[[3-methyl-2-(2-methylpropyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 2-[[3-methyl-2-(2-methylpropyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 2-[[3-methyl-2-(2-methylpropyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid is Cc1cccc(C(=O)NC2(C(=O)O)Cc3ccccc3C2)c1CC(C)C.
What is the InChIKey of 2-[[3-methyl-2-(2-methylpropyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is CVZZXXPJPJIHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO3/c1-14(2)11-19-15(3)7-6-10-18(19)20(24)23-22(21(25)26)12-16-8-4-5-9-17(16)13-22/h4-10,14H,11-13H2,1-3H3,(H,23,24)(H,25,26).
What are the key properties of 2-[[3-methyl-2-(2-methylpropyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid?
2-[[3-methyl-2-(2-methylpropyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 351.45 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-methyl-2-(2-methylpropyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 25160671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).