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

C22H23NO4 — CID 25160922

IUPAC2-[[3-methyl-2-(2-methylpropanoyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
SMILESCc1cccc(C(=O)NC2(C(=O)O)Cc3ccccc3C2)c1C(=O)C(C)C
InChIInChI=1S/C22H23NO4/c1-13(2)19(24)18-14(3)7-6-10-17(18)20(25)23-22(21(26)27)11-15-8-4-5-9-16(15)12-22/h4-10,13H,11-12H2,1-3H3,(H,23,25)(H,26,27)
InChIKeyRDEPYTOUBFCJKH-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.19
Rot. Bonds5

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

2-[[3-methyl-2-(2-methylpropanoyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid (PubChem CID 25160922) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is 2-[[3-methyl-2-(2-methylpropanoyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name2-[[3-methyl-2-(2-methylpropanoyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
PubChem CID25160922
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Name2-[[3-methyl-2-(2-methylpropanoyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
SMILESCc1cccc(C(=O)NC2(C(=O)O)Cc3ccccc3C2)c1C(=O)C(C)C
InChIInChI=1S/C22H23NO4/c1-13(2)19(24)18-14(3)7-6-10-17(18)20(25)23-22(21(26)27)11-15-8-4-5-9-16(15)12-22/h4-10,13H,11-12H2,1-3H3,(H,23,25)(H,26,27)
InChIKeyRDEPYTOUBFCJKH-UHFFFAOYSA-N
XLogP3.19
TPSA83.47 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 ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-cyclopentyl-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid
CID 25160673
2-(5,6,7,8-tetrahydronaphthalene-1-carbonylamino)-1,3-dihydroindene-2-carboxylic acid
CID 25159359
2-[(2-hex-2-enyl-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid
CID 68720571
(2S)-5-fluoro-2-[[3-methyl-2-(2-methylpropyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 71044102
2-[(2-but-2-ynoxy-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid
CID 59314368
5-fluoro-2-[[3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 25160799
5-cyano-2-[(3-methyl-2-propan-2-yloxybenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid
CID 59314103
2-(1H-indole-4-carbonylamino)-1,3-dihydroindene-2-carboxylic acid
CID 59314163
1-[(2-methylbenzoyl)amino]cycloheptane-1-carboxylic acid
CID 43341683
2-[(2-cyclobutyloxy-3-methylbenzoyl)amino]-5-fluoro-1,3-dihydroindene-2-carboxylic acid
CID 25160667
5,6-difluoro-2-[(3-methyl-2-prop-1-enylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid
CID 68589822
2-[(3-chloro-2-propan-2-yloxybenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid;2-[(3-chloro-2-prop-2-enoxybenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid
CID 68720996

Frequently Asked Questions

What is the IUPAC name of 2-[[3-methyl-2-(2-methylpropanoyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 2-[[3-methyl-2-(2-methylpropanoyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid (CID 25160922) is 2-[[3-methyl-2-(2-methylpropanoyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 2-[[3-methyl-2-(2-methylpropanoyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 2-[[3-methyl-2-(2-methylpropanoyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid is Cc1cccc(C(=O)NC2(C(=O)O)Cc3ccccc3C2)c1C(=O)C(C)C.
What is the InChIKey of 2-[[3-methyl-2-(2-methylpropanoyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is RDEPYTOUBFCJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4/c1-13(2)19(24)18-14(3)7-6-10-17(18)20(25)23-22(21(26)27)11-15-8-4-5-9-16(15)12-22/h4-10,13H,11-12H2,1-3H3,(H,23,25)(H,26,27).
What are the key properties of 2-[[3-methyl-2-(2-methylpropanoyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid?
2-[[3-methyl-2-(2-methylpropanoyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 365.43 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-methyl-2-(2-methylpropanoyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 25160922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).