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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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).