2-[(2-cyclobutyloxy-3-methylbenzoyl)amino]-1,3-dihydroindene-2,5-dicarboxylic acid

C23H23NO6 — CID 59314361

IUPAC2-[(2-cyclobutyloxy-3-methylbenzoyl)amino]-1,3-dihydroindene-2,5-dicarboxylic acid
SMILESCc1cccc(C(=O)NC2(C(=O)O)Cc3ccc(C(=O)O)cc3C2)c1OC1CCC1
InChIInChI=1S/C23H23NO6/c1-13-4-2-7-18(19(13)30-17-5-3-6-17)20(25)24-23(22(28)29)11-15-9-8-14(21(26)27)10-16(15)12-23/h2,4,7-10,17H,3,5-6,11-12H2,1H3,(H,24,25)(H,26,27)(H,28,29)
InChIKeyCIWMJTYZCKJKOS-UHFFFAOYSA-N
MW409.44 g/mol
LogP2.98
Rot. Bonds6

About 2-[(2-cyclobutyloxy-3-methylbenzoyl)amino]-1,3-dihydroindene-2,5-dicarboxylic acid

2-[(2-cyclobutyloxy-3-methylbenzoyl)amino]-1,3-dihydroindene-2,5-dicarboxylic acid (PubChem CID 59314361) has the molecular formula C23H23NO6 and a molecular weight of 409.44 g/mol. Its IUPAC name is 2-[(2-cyclobutyloxy-3-methylbenzoyl)amino]-1,3-dihydroindene-2,5-dicarboxylic acid.

Molecular Properties

Compound Name2-[(2-cyclobutyloxy-3-methylbenzoyl)amino]-1,3-dihydroindene-2,5-dicarboxylic acid
PubChem CID59314361
Molecular FormulaC23H23NO6
Molecular Weight409.44 g/mol
Exact Mass409.15
IUPAC Name2-[(2-cyclobutyloxy-3-methylbenzoyl)amino]-1,3-dihydroindene-2,5-dicarboxylic acid
SMILESCc1cccc(C(=O)NC2(C(=O)O)Cc3ccc(C(=O)O)cc3C2)c1OC1CCC1
InChIInChI=1S/C23H23NO6/c1-13-4-2-7-18(19(13)30-17-5-3-6-17)20(25)24-23(22(28)29)11-15-9-8-14(21(26)27)10-16(15)12-23/h2,4,7-10,17H,3,5-6,11-12H2,1H3,(H,24,25)(H,26,27)(H,28,29)
InChIKeyCIWMJTYZCKJKOS-UHFFFAOYSA-N
XLogP2.98
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-cyclobutyloxy-3-methylbenzoyl)amino]-5-fluoro-1,3-dihydroindene-2-carboxylic acid
CID 25160667
5-chloro-2-[(2-cyclobutyloxy-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid;2-cyclobutyloxy-3-methylbenzoic acid;ethyl 2-amino-5-chloro-1,3-dihydroindene-2-carboxylate;ethyl 5-chloro-2-[(2-cyclobutyloxy-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylate
CID 160759482
2-[(2-cyclopentyl-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid
CID 25160673
ethyl 2-[(5-chloro-2-cyclobutyloxy-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylate
CID 59314167
5-cyano-2-[(3-methyl-2-propan-2-yloxybenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid
CID 59314103
2-[(2-but-2-ynoxy-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid
CID 59314368
2-[(3,5-dichloro-2-cyclobutyloxybenzoyl)amino]-5-fluoro-1,3-dihydroindene-2-carboxylic acid
CID 25160280
1-(2-cyclopentyloxy-3-methylphenyl)ethanone
CID 82079338
2-(5,6,7,8-tetrahydronaphthalene-1-carbonylamino)-1,3-dihydroindene-2-carboxylic acid
CID 25159359
2-[[3-methyl-2-(2-methylpropanoyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 25160922
5-fluoro-2-[[3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 25160799
2-(1H-indole-4-carbonylamino)-1,3-dihydroindene-2-carboxylic acid
CID 59314163

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclobutyloxy-3-methylbenzoyl)amino]-1,3-dihydroindene-2,5-dicarboxylic acid?
The IUPAC name of 2-[(2-cyclobutyloxy-3-methylbenzoyl)amino]-1,3-dihydroindene-2,5-dicarboxylic acid (CID 59314361) is 2-[(2-cyclobutyloxy-3-methylbenzoyl)amino]-1,3-dihydroindene-2,5-dicarboxylic acid.
What is the SMILES notation for 2-[(2-cyclobutyloxy-3-methylbenzoyl)amino]-1,3-dihydroindene-2,5-dicarboxylic acid?
The canonical SMILES for 2-[(2-cyclobutyloxy-3-methylbenzoyl)amino]-1,3-dihydroindene-2,5-dicarboxylic acid is Cc1cccc(C(=O)NC2(C(=O)O)Cc3ccc(C(=O)O)cc3C2)c1OC1CCC1.
What is the InChIKey of 2-[(2-cyclobutyloxy-3-methylbenzoyl)amino]-1,3-dihydroindene-2,5-dicarboxylic acid?
The InChIKey is CIWMJTYZCKJKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO6/c1-13-4-2-7-18(19(13)30-17-5-3-6-17)20(25)24-23(22(28)29)11-15-9-8-14(21(26)27)10-16(15)12-23/h2,4,7-10,17H,3,5-6,11-12H2,1H3,(H,24,25)(H,26,27)(H,28,29).
What are the key properties of 2-[(2-cyclobutyloxy-3-methylbenzoyl)amino]-1,3-dihydroindene-2,5-dicarboxylic acid?
2-[(2-cyclobutyloxy-3-methylbenzoyl)amino]-1,3-dihydroindene-2,5-dicarboxylic acid has a molecular weight of 409.44 g/mol, XLogP of 2.98, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclobutyloxy-3-methylbenzoyl)amino]-1,3-dihydroindene-2,5-dicarboxylic acid is sourced from PubChem (CID 59314361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).