2-[(2-cyclobutyloxy-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid

C22H23NO4 — CID 25160282

IUPAC2-[(2-cyclobutyloxy-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid
SMILESCc1cccc(C(=O)NC2(C(=O)O)Cc3ccccc3C2)c1OC1CCC1
InChIInChI=1S/C22H23NO4/c1-14-6-4-11-18(19(14)27-17-9-5-10-17)20(24)23-22(21(25)26)12-15-7-2-3-8-16(15)13-22/h2-4,6-8,11,17H,5,9-10,12-13H2,1H3,(H,23,24)(H,25,26)
InChIKeyOGIZPFDDOBNJOF-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.28
Rot. Bonds5

About 2-[(2-cyclobutyloxy-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid

2-[(2-cyclobutyloxy-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid (PubChem CID 25160282) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is 2-[(2-cyclobutyloxy-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name2-[(2-cyclobutyloxy-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid
PubChem CID25160282
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Name2-[(2-cyclobutyloxy-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid
SMILESCc1cccc(C(=O)NC2(C(=O)O)Cc3ccccc3C2)c1OC1CCC1
InChIInChI=1S/C22H23NO4/c1-14-6-4-11-18(19(14)27-17-9-5-10-17)20(24)23-22(21(25)26)12-15-7-2-3-8-16(15)13-22/h2-4,6-8,11,17H,5,9-10,12-13H2,1H3,(H,23,24)(H,25,26)
InChIKeyOGIZPFDDOBNJOF-UHFFFAOYSA-N
XLogP3.28
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclobutyloxy-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 2-[(2-cyclobutyloxy-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid (CID 25160282) is 2-[(2-cyclobutyloxy-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 2-[(2-cyclobutyloxy-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 2-[(2-cyclobutyloxy-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid is Cc1cccc(C(=O)NC2(C(=O)O)Cc3ccccc3C2)c1OC1CCC1.
What is the InChIKey of 2-[(2-cyclobutyloxy-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is OGIZPFDDOBNJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4/c1-14-6-4-11-18(19(14)27-17-9-5-10-17)20(24)23-22(21(25)26)12-15-7-2-3-8-16(15)13-22/h2-4,6-8,11,17H,5,9-10,12-13H2,1H3,(H,23,24)(H,25,26).
What are the key properties of 2-[(2-cyclobutyloxy-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid?
2-[(2-cyclobutyloxy-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 365.43 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclobutyloxy-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 25160282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).