ethyl 2-[[2-methyl-3-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylate

C24H27NO3 — CID 59314267

IUPACethyl 2-[[2-methyl-3-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylate
SMILESCCOC(=O)C1(NC(=O)c2cccc(C=C(C)C)c2C)Cc2ccccc2C1
InChIInChI=1S/C24H27NO3/c1-5-28-23(27)24(14-19-9-6-7-10-20(19)15-24)25-22(26)21-12-8-11-18(17(21)4)13-16(2)3/h6-13H,5,14-15H2,1-4H3,(H,25,26)
InChIKeyRWMWFRDXCUGEHE-UHFFFAOYSA-N
MW377.48 g/mol
LogP4.25
Rot. Bonds5

About ethyl 2-[[2-methyl-3-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylate

ethyl 2-[[2-methyl-3-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylate (PubChem CID 59314267) has the molecular formula C24H27NO3 and a molecular weight of 377.48 g/mol. Its IUPAC name is ethyl 2-[[2-methyl-3-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-methyl-3-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylate
PubChem CID59314267
Molecular FormulaC24H27NO3
Molecular Weight377.48 g/mol
Exact Mass377.20
IUPAC Nameethyl 2-[[2-methyl-3-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylate
SMILESCCOC(=O)C1(NC(=O)c2cccc(C=C(C)C)c2C)Cc2ccccc2C1
InChIInChI=1S/C24H27NO3/c1-5-28-23(27)24(14-19-9-6-7-10-20(19)15-24)25-22(26)21-12-8-11-18(17(21)4)13-16(2)3/h6-13H,5,14-15H2,1-4H3,(H,25,26)
InChIKeyRWMWFRDXCUGEHE-UHFFFAOYSA-N
XLogP4.25
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.48
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-methyl-3-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylate?
The IUPAC name of ethyl 2-[[2-methyl-3-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylate (CID 59314267) is ethyl 2-[[2-methyl-3-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylate.
What is the SMILES notation for ethyl 2-[[2-methyl-3-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylate?
The canonical SMILES for ethyl 2-[[2-methyl-3-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylate is CCOC(=O)C1(NC(=O)c2cccc(C=C(C)C)c2C)Cc2ccccc2C1.
What is the InChIKey of ethyl 2-[[2-methyl-3-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylate?
The InChIKey is RWMWFRDXCUGEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO3/c1-5-28-23(27)24(14-19-9-6-7-10-20(19)15-24)25-22(26)21-12-8-11-18(17(21)4)13-16(2)3/h6-13H,5,14-15H2,1-4H3,(H,25,26).
What are the key properties of ethyl 2-[[2-methyl-3-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylate?
ethyl 2-[[2-methyl-3-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylate has a molecular weight of 377.48 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-methyl-3-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylate is sourced from PubChem (CID 59314267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).