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

C24H27NO3 — CID 68720571

IUPAC2-[(2-hex-2-enyl-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid
SMILESCCCC=CCc1c(C)cccc1C(=O)NC1(C(=O)O)Cc2ccccc2C1
InChIInChI=1S/C24H27NO3/c1-3-4-5-6-13-20-17(2)10-9-14-21(20)22(26)25-24(23(27)28)15-18-11-7-8-12-19(18)16-24/h5-12,14H,3-4,13,15-16H2,1-2H3,(H,25,26)(H,27,28)
InChIKeyDFDGQVMELWQAHH-UHFFFAOYSA-N
MW377.48 g/mol
LogP4.25
Rot. Bonds7

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

2-[(2-hex-2-enyl-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid (PubChem CID 68720571) has the molecular formula C24H27NO3 and a molecular weight of 377.48 g/mol. Its IUPAC name is 2-[(2-hex-2-enyl-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name2-[(2-hex-2-enyl-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid
PubChem CID68720571
Molecular FormulaC24H27NO3
Molecular Weight377.48 g/mol
Exact Mass377.20
IUPAC Name2-[(2-hex-2-enyl-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid
SMILESCCCC=CCc1c(C)cccc1C(=O)NC1(C(=O)O)Cc2ccccc2C1
InChIInChI=1S/C24H27NO3/c1-3-4-5-6-13-20-17(2)10-9-14-21(20)22(26)25-24(23(27)28)15-18-11-7-8-12-19(18)16-24/h5-12,14H,3-4,13,15-16H2,1-2H3,(H,25,26)(H,27,28)
InChIKeyDFDGQVMELWQAHH-UHFFFAOYSA-N
XLogP4.25
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.48
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[[3-methyl-2-(2-methylpropanoyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 25160922
2-[(2-cyclopentyl-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid
CID 25160673
(2S)-5-fluoro-2-[[3-methyl-2-(2-methylpropyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 71044102
2-(5,6,7,8-tetrahydronaphthalene-1-carbonylamino)-1,3-dihydroindene-2-carboxylic acid
CID 25159359
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
5,6-difluoro-2-[(3-methyl-2-prop-1-enylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid
CID 68589822
2-(1H-indole-4-carbonylamino)-1,3-dihydroindene-2-carboxylic acid
CID 59314163
1-[(2-methylbenzoyl)amino]cycloheptane-1-carboxylic acid
CID 43341683
ethyl 2-[[2-(2-cyclopropylethenyl)-3-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylate
CID 68590661
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
4,7-difluoro-2-[[3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid;4,5-difluoro-2-[[3-methyl-2-(2-methylpropyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 158250546

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hex-2-enyl-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 2-[(2-hex-2-enyl-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid (CID 68720571) is 2-[(2-hex-2-enyl-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 2-[(2-hex-2-enyl-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 2-[(2-hex-2-enyl-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid is CCCC=CCc1c(C)cccc1C(=O)NC1(C(=O)O)Cc2ccccc2C1.
What is the InChIKey of 2-[(2-hex-2-enyl-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is DFDGQVMELWQAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO3/c1-3-4-5-6-13-20-17(2)10-9-14-21(20)22(26)25-24(23(27)28)15-18-11-7-8-12-19(18)16-24/h5-12,14H,3-4,13,15-16H2,1-2H3,(H,25,26)(H,27,28).
What are the key properties of 2-[(2-hex-2-enyl-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid?
2-[(2-hex-2-enyl-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 377.48 g/mol, XLogP of 4.25, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hex-2-enyl-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 68720571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).