ethyl 1-(4-propan-2-ylphenyl)-2,3-dihydroindole-2-carboxylate

C20H23NO2 — CID 174520970

IUPACethyl 1-(4-propan-2-ylphenyl)-2,3-dihydroindole-2-carboxylate
SMILESCCOC(=O)C1Cc2ccccc2N1c1ccc(C(C)C)cc1
InChIInChI=1S/C20H23NO2/c1-4-23-20(22)19-13-16-7-5-6-8-18(16)21(19)17-11-9-15(10-12-17)14(2)3/h5-12,14,19H,4,13H2,1-3H3
InChIKeyXVYDEOCMEABHAM-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.44
Rot. Bonds4

About ethyl 1-(4-propan-2-ylphenyl)-2,3-dihydroindole-2-carboxylate

ethyl 1-(4-propan-2-ylphenyl)-2,3-dihydroindole-2-carboxylate (PubChem CID 174520970) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is ethyl 1-(4-propan-2-ylphenyl)-2,3-dihydroindole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-propan-2-ylphenyl)-2,3-dihydroindole-2-carboxylate
PubChem CID174520970
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Nameethyl 1-(4-propan-2-ylphenyl)-2,3-dihydroindole-2-carboxylate
SMILESCCOC(=O)C1Cc2ccccc2N1c1ccc(C(C)C)cc1
InChIInChI=1S/C20H23NO2/c1-4-23-20(22)19-13-16-7-5-6-8-18(16)21(19)17-11-9-15(10-12-17)14(2)3/h5-12,14,19H,4,13H2,1-3H3
InChIKeyXVYDEOCMEABHAM-UHFFFAOYSA-N
XLogP4.44
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 1-(4-propan-2-ylphenyl)-2,3-dihydroindole-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-propan-2-ylphenyl)-2,3-dihydroindole-2-carboxylic acid
CID 151895326
ethyl 5-(4-cyclohexylphenyl)-1-(4-propan-2-ylphenyl)-2,3-dihydroindole-2-carboxylate
CID 150713714
ethyl 1-(4-propan-2-ylphenyl)aziridine-2-carboxylate
CID 117009983
ethyl 1-(4-propan-2-ylphenyl)-5-[4-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroindole-2-carboxylate
CID 151328443
ethyl (2S)-1-(2-oxo-2-phenylacetyl)-2,3-dihydroindole-2-carboxylate
CID 11727048
ethyl 1-(2-phenylmethoxypropanoyl)-2,3-dihydroindole-2-carboxylate
CID 77462167
ethyl (2S)-1-[(2S)-3-benzoylsulfanyl-2-methylpropanoyl]-2,3-dihydroindole-2-carboxylate
CID 57272025
ethyl 1-[(2S)-3-benzoylsulfanyl-2-methylpropanoyl]-2,3-dihydroindole-2-carboxylate
CID 57054254
(2S)-1-[(4R)-5-ethoxy-2,4-dimethyl-5-oxopentyl]-2,3-dihydroindole-2-carboxylic acid
CID 70387717
(2S)-1-[(2R)-5-ethoxy-2-methyl-5-oxopentanoyl]-2,3-dihydroindole-2-carboxylic acid
CID 13105695
sodium;hydride;1-naphthalen-2-yl-5-(4-propan-2-ylphenyl)-2,3-dihydroindole-2-carboxylic acid
CID 174534060
[2-butyl-5-(hydroxymethyl)imidazol-1-yl]methyl (2R)-1-phenyl-2,3-dihydroindole-2-carboxylate
CID 174311411

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-propan-2-ylphenyl)-2,3-dihydroindole-2-carboxylate?
The IUPAC name of ethyl 1-(4-propan-2-ylphenyl)-2,3-dihydroindole-2-carboxylate (CID 174520970) is ethyl 1-(4-propan-2-ylphenyl)-2,3-dihydroindole-2-carboxylate.
What is the SMILES notation for ethyl 1-(4-propan-2-ylphenyl)-2,3-dihydroindole-2-carboxylate?
The canonical SMILES for ethyl 1-(4-propan-2-ylphenyl)-2,3-dihydroindole-2-carboxylate is CCOC(=O)C1Cc2ccccc2N1c1ccc(C(C)C)cc1.
What is the InChIKey of ethyl 1-(4-propan-2-ylphenyl)-2,3-dihydroindole-2-carboxylate?
The InChIKey is XVYDEOCMEABHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-4-23-20(22)19-13-16-7-5-6-8-18(16)21(19)17-11-9-15(10-12-17)14(2)3/h5-12,14,19H,4,13H2,1-3H3.
What are the key properties of ethyl 1-(4-propan-2-ylphenyl)-2,3-dihydroindole-2-carboxylate?
ethyl 1-(4-propan-2-ylphenyl)-2,3-dihydroindole-2-carboxylate has a molecular weight of 309.41 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-propan-2-ylphenyl)-2,3-dihydroindole-2-carboxylate is sourced from PubChem (CID 174520970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).