ethyl (2S)-1-(2-oxo-2-phenylacetyl)-2,3-dihydroindole-2-carboxylate

C19H17NO4 — CID 11727048

IUPACethyl (2S)-1-(2-oxo-2-phenylacetyl)-2,3-dihydroindole-2-carboxylate
SMILESCCOC(=O)[C@@H]1Cc2ccccc2N1C(=O)C(=O)c1ccccc1
InChIInChI=1S/C19H17NO4/c1-2-24-19(23)16-12-14-10-6-7-11-15(14)20(16)18(22)17(21)13-8-4-3-5-9-13/h3-11,16H,2,12H2,1H3/t16-/m0/s1
InChIKeyODIKJLDCILYQLV-INIZCTEOSA-N
MW323.35 g/mol
LogP2.39
Rot. Bonds4

About ethyl (2S)-1-(2-oxo-2-phenylacetyl)-2,3-dihydroindole-2-carboxylate

ethyl (2S)-1-(2-oxo-2-phenylacetyl)-2,3-dihydroindole-2-carboxylate (PubChem CID 11727048) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is ethyl (2S)-1-(2-oxo-2-phenylacetyl)-2,3-dihydroindole-2-carboxylate.

Molecular Properties

Compound Nameethyl (2S)-1-(2-oxo-2-phenylacetyl)-2,3-dihydroindole-2-carboxylate
PubChem CID11727048
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Nameethyl (2S)-1-(2-oxo-2-phenylacetyl)-2,3-dihydroindole-2-carboxylate
SMILESCCOC(=O)[C@@H]1Cc2ccccc2N1C(=O)C(=O)c1ccccc1
InChIInChI=1S/C19H17NO4/c1-2-24-19(23)16-12-14-10-6-7-11-15(14)20(16)18(22)17(21)13-8-4-3-5-9-13/h3-11,16H,2,12H2,1H3/t16-/m0/s1
InChIKeyODIKJLDCILYQLV-INIZCTEOSA-N
XLogP2.39
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 1-[(2S)-3-benzoylsulfanyl-2-methylpropanoyl]-2,3-dihydroindole-2-carboxylate
CID 57054254
ethyl (2S)-1-[(2S)-3-benzoylsulfanyl-2-methylpropanoyl]-2,3-dihydroindole-2-carboxylate
CID 57272025
ethyl 1-(2-phenylmethoxypropanoyl)-2,3-dihydroindole-2-carboxylate
CID 77462167
ethyl (2S)-1-[(4R)-4-amino-5-oxo-6-phenylhexanoyl]-2,3-dihydroindole-2-carboxylate
CID 86740643
(2S)-1-[(2R)-5-ethoxy-5-oxo-2-propan-2-ylpentanoyl]-2,3-dihydroindole-2-carboxylic acid
CID 22822753
(2S)-1-[(2R)-5-ethoxy-2-methyl-5-oxopentanoyl]-2,3-dihydroindole-2-carboxylic acid
CID 13105695
ethyl (2S)-1-[(4R)-4-ethoxycarbonyl-10-phenyldecanoyl]-2,3-dihydroindole-2-carboxylate
CID 70507548
ethyl 1-(4-propan-2-ylphenyl)-2,3-dihydroindole-2-carboxylate
CID 174520970
(2S)-1-(2-ethoxyacetyl)-2,3-dihydroindole-2-carboxylic acid
CID 28779680
ethyl 1-[(2S)-1-propanoyl-2,3-dihydroindole-2-carbonyl]piperidine-4-carboxylate
CID 92715776
ethyl 1-benzoylaziridine-2-carboxylate
CID 121014721
methyl 1-(5-ethoxycarbonyl-2-phenyl-3,4-dihydropyrazole-3-carbonyl)-2,3-dihydroindole-2-carboxylate
CID 56556561

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-1-(2-oxo-2-phenylacetyl)-2,3-dihydroindole-2-carboxylate?
The IUPAC name of ethyl (2S)-1-(2-oxo-2-phenylacetyl)-2,3-dihydroindole-2-carboxylate (CID 11727048) is ethyl (2S)-1-(2-oxo-2-phenylacetyl)-2,3-dihydroindole-2-carboxylate.
What is the SMILES notation for ethyl (2S)-1-(2-oxo-2-phenylacetyl)-2,3-dihydroindole-2-carboxylate?
The canonical SMILES for ethyl (2S)-1-(2-oxo-2-phenylacetyl)-2,3-dihydroindole-2-carboxylate is CCOC(=O)[C@@H]1Cc2ccccc2N1C(=O)C(=O)c1ccccc1.
What is the InChIKey of ethyl (2S)-1-(2-oxo-2-phenylacetyl)-2,3-dihydroindole-2-carboxylate?
The InChIKey is ODIKJLDCILYQLV-INIZCTEOSA-N. The full InChI is InChI=1S/C19H17NO4/c1-2-24-19(23)16-12-14-10-6-7-11-15(14)20(16)18(22)17(21)13-8-4-3-5-9-13/h3-11,16H,2,12H2,1H3/t16-/m0/s1.
What are the key properties of ethyl (2S)-1-(2-oxo-2-phenylacetyl)-2,3-dihydroindole-2-carboxylate?
ethyl (2S)-1-(2-oxo-2-phenylacetyl)-2,3-dihydroindole-2-carboxylate has a molecular weight of 323.35 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-1-(2-oxo-2-phenylacetyl)-2,3-dihydroindole-2-carboxylate is sourced from PubChem (CID 11727048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).