ethyl 2-[[2-(2-cyclopropylethenyl)-3-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylate

C25H27NO3 — CID 68590661

IUPACethyl 2-[[2-(2-cyclopropylethenyl)-3-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylate
SMILESCCOC(=O)C1(NC(=O)c2cccc(C)c2C=CC2CC2)Cc2ccccc2C1
InChIInChI=1S/C25H27NO3/c1-3-29-24(28)25(15-19-8-4-5-9-20(19)16-25)26-23(27)22-10-6-7-17(2)21(22)14-13-18-11-12-18/h4-10,13-14,18H,3,11-12,15-16H2,1-2H3,(H,26,27)
InChIKeyRALQFCIIRWJMBF-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.25
Rot. Bonds6

About ethyl 2-[[2-(2-cyclopropylethenyl)-3-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylate

ethyl 2-[[2-(2-cyclopropylethenyl)-3-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylate (PubChem CID 68590661) has the molecular formula C25H27NO3 and a molecular weight of 389.50 g/mol. Its IUPAC name is ethyl 2-[[2-(2-cyclopropylethenyl)-3-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-(2-cyclopropylethenyl)-3-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylate
PubChem CID68590661
Molecular FormulaC25H27NO3
Molecular Weight389.50 g/mol
Exact Mass389.20
IUPAC Nameethyl 2-[[2-(2-cyclopropylethenyl)-3-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylate
SMILESCCOC(=O)C1(NC(=O)c2cccc(C)c2C=CC2CC2)Cc2ccccc2C1
InChIInChI=1S/C25H27NO3/c1-3-29-24(28)25(15-19-8-4-5-9-20(19)16-25)26-23(27)22-10-6-7-17(2)21(22)14-13-18-11-12-18/h4-10,13-14,18H,3,11-12,15-16H2,1-2H3,(H,26,27)
InChIKeyRALQFCIIRWJMBF-UHFFFAOYSA-N
XLogP4.25
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
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-(2-cyclopropylethenyl)-3-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylate?
The IUPAC name of ethyl 2-[[2-(2-cyclopropylethenyl)-3-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylate (CID 68590661) is ethyl 2-[[2-(2-cyclopropylethenyl)-3-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylate.
What is the SMILES notation for ethyl 2-[[2-(2-cyclopropylethenyl)-3-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylate?
The canonical SMILES for ethyl 2-[[2-(2-cyclopropylethenyl)-3-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylate is CCOC(=O)C1(NC(=O)c2cccc(C)c2C=CC2CC2)Cc2ccccc2C1.
What is the InChIKey of ethyl 2-[[2-(2-cyclopropylethenyl)-3-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylate?
The InChIKey is RALQFCIIRWJMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO3/c1-3-29-24(28)25(15-19-8-4-5-9-20(19)16-25)26-23(27)22-10-6-7-17(2)21(22)14-13-18-11-12-18/h4-10,13-14,18H,3,11-12,15-16H2,1-2H3,(H,26,27).
What are the key properties of ethyl 2-[[2-(2-cyclopropylethenyl)-3-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylate?
ethyl 2-[[2-(2-cyclopropylethenyl)-3-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylate has a molecular weight of 389.50 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(2-cyclopropylethenyl)-3-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylate is sourced from PubChem (CID 68590661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).