1-[(2-cyclobutyloxy-3-methylbenzoyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid

C22H23NO4 — CID 68736790

IUPAC1-[(2-cyclobutyloxy-3-methylbenzoyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid
SMILESCc1cccc(C(=O)NC2c3ccccc3CC2C(=O)O)c1OC1CCC1
InChIInChI=1S/C22H23NO4/c1-13-6-4-11-17(20(13)27-15-8-5-9-15)21(24)23-19-16-10-3-2-7-14(16)12-18(19)22(25)26/h2-4,6-7,10-11,15,18-19H,5,8-9,12H2,1H3,(H,23,24)(H,25,26)
InChIKeyDTMPDSIPSGQYNY-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.65
Rot. Bonds5

About 1-[(2-cyclobutyloxy-3-methylbenzoyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid

1-[(2-cyclobutyloxy-3-methylbenzoyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid (PubChem CID 68736790) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is 1-[(2-cyclobutyloxy-3-methylbenzoyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2-cyclobutyloxy-3-methylbenzoyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid
PubChem CID68736790
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Name1-[(2-cyclobutyloxy-3-methylbenzoyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid
SMILESCc1cccc(C(=O)NC2c3ccccc3CC2C(=O)O)c1OC1CCC1
InChIInChI=1S/C22H23NO4/c1-13-6-4-11-17(20(13)27-15-8-5-9-15)21(24)23-19-16-10-3-2-7-14(16)12-18(19)22(25)26/h2-4,6-7,10-11,15,18-19H,5,8-9,12H2,1H3,(H,23,24)(H,25,26)
InChIKeyDTMPDSIPSGQYNY-UHFFFAOYSA-N
XLogP3.65
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 ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(2-cyclobutyloxy-3-methylbenzoyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid with MolForge

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Related Compounds

1-[(2-chloro-4-methylbenzoyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid
CID 166375745
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,3-dimethylbenzamide
CID 103816856
2-fluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-methylbenzamide
CID 80711787
1-(2-cyclopentyloxy-3-methylphenyl)ethanone
CID 82079338
2-chloro-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)benzamide
CID 3398398
5-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-methylbenzamide
CID 65311609
2-[(2-cyclobutyloxy-3-methylbenzoyl)amino]-5-fluoro-1,3-dihydroindene-2-carboxylic acid
CID 25160667
2-[(2-cyclobutyloxy-3-methylbenzoyl)amino]-1,3-dihydroindene-2,5-dicarboxylic acid
CID 59314361
1-formamido-2,3-dihydro-1H-indene-2-carboxylic acid
CID 87579467
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylthiophene-3-carboxamide
CID 97065228
2-[(2-bromo-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106703293
2,3-difluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide
CID 62660008

Frequently Asked Questions

What is the IUPAC name of 1-[(2-cyclobutyloxy-3-methylbenzoyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid?
The IUPAC name of 1-[(2-cyclobutyloxy-3-methylbenzoyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid (CID 68736790) is 1-[(2-cyclobutyloxy-3-methylbenzoyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid.
What is the SMILES notation for 1-[(2-cyclobutyloxy-3-methylbenzoyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid?
The canonical SMILES for 1-[(2-cyclobutyloxy-3-methylbenzoyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid is Cc1cccc(C(=O)NC2c3ccccc3CC2C(=O)O)c1OC1CCC1.
What is the InChIKey of 1-[(2-cyclobutyloxy-3-methylbenzoyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid?
The InChIKey is DTMPDSIPSGQYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4/c1-13-6-4-11-17(20(13)27-15-8-5-9-15)21(24)23-19-16-10-3-2-7-14(16)12-18(19)22(25)26/h2-4,6-7,10-11,15,18-19H,5,8-9,12H2,1H3,(H,23,24)(H,25,26).
What are the key properties of 1-[(2-cyclobutyloxy-3-methylbenzoyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid?
1-[(2-cyclobutyloxy-3-methylbenzoyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid has a molecular weight of 365.43 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-cyclobutyloxy-3-methylbenzoyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid is sourced from PubChem (CID 68736790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).