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

C23H25NO3 — CID 25160797

IUPAC2-[[2-(2-cyclopropylethyl)-3-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
SMILESCc1cccc(C(=O)NC2(C(=O)O)Cc3ccccc3C2)c1CCC1CC1
InChIInChI=1S/C23H25NO3/c1-15-5-4-8-20(19(15)12-11-16-9-10-16)21(25)24-23(22(26)27)13-17-6-2-3-7-18(17)14-23/h2-8,16H,9-14H2,1H3,(H,24,25)(H,26,27)
InChIKeyLIZLWUTUDPLXHS-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.69
Rot. Bonds6

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

2-[[2-(2-cyclopropylethyl)-3-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid (PubChem CID 25160797) has the molecular formula C23H25NO3 and a molecular weight of 363.46 g/mol. Its IUPAC name is 2-[[2-(2-cyclopropylethyl)-3-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(2-cyclopropylethyl)-3-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
PubChem CID25160797
Molecular FormulaC23H25NO3
Molecular Weight363.46 g/mol
Exact Mass363.18
IUPAC Name2-[[2-(2-cyclopropylethyl)-3-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
SMILESCc1cccc(C(=O)NC2(C(=O)O)Cc3ccccc3C2)c1CCC1CC1
InChIInChI=1S/C23H25NO3/c1-15-5-4-8-20(19(15)12-11-16-9-10-16)21(25)24-23(22(26)27)13-17-6-2-3-7-18(17)14-23/h2-8,16H,9-14H2,1H3,(H,24,25)(H,26,27)
InChIKeyLIZLWUTUDPLXHS-UHFFFAOYSA-N
XLogP3.69
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-cyclopropylethyl)-3-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 2-[[2-(2-cyclopropylethyl)-3-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid (CID 25160797) is 2-[[2-(2-cyclopropylethyl)-3-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 2-[[2-(2-cyclopropylethyl)-3-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 2-[[2-(2-cyclopropylethyl)-3-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid is Cc1cccc(C(=O)NC2(C(=O)O)Cc3ccccc3C2)c1CCC1CC1.
What is the InChIKey of 2-[[2-(2-cyclopropylethyl)-3-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is LIZLWUTUDPLXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO3/c1-15-5-4-8-20(19(15)12-11-16-9-10-16)21(25)24-23(22(26)27)13-17-6-2-3-7-18(17)14-23/h2-8,16H,9-14H2,1H3,(H,24,25)(H,26,27).
What are the key properties of 2-[[2-(2-cyclopropylethyl)-3-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid?
2-[[2-(2-cyclopropylethyl)-3-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 363.46 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-cyclopropylethyl)-3-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 25160797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).