ethyl 1-ethyl-3-hydroxy-2-oxo-3-phenylindole-5-carboxylate

C19H19NO4 — CID 135068315

IUPACethyl 1-ethyl-3-hydroxy-2-oxo-3-phenylindole-5-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)C(O)(c1ccccc1)C(=O)N2CC
InChIInChI=1S/C19H19NO4/c1-3-20-16-11-10-13(17(21)24-4-2)12-15(16)19(23,18(20)22)14-8-6-5-7-9-14/h5-12,23H,3-4H2,1-2H3
InChIKeyHDJLPXBLTQYTMC-UHFFFAOYSA-N
MW325.36 g/mol
LogP2.47
Rot. Bonds4

About ethyl 1-ethyl-3-hydroxy-2-oxo-3-phenylindole-5-carboxylate

ethyl 1-ethyl-3-hydroxy-2-oxo-3-phenylindole-5-carboxylate (PubChem CID 135068315) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is ethyl 1-ethyl-3-hydroxy-2-oxo-3-phenylindole-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-ethyl-3-hydroxy-2-oxo-3-phenylindole-5-carboxylate
PubChem CID135068315
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Nameethyl 1-ethyl-3-hydroxy-2-oxo-3-phenylindole-5-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)C(O)(c1ccccc1)C(=O)N2CC
InChIInChI=1S/C19H19NO4/c1-3-20-16-11-10-13(17(21)24-4-2)12-15(16)19(23,18(20)22)14-8-6-5-7-9-14/h5-12,23H,3-4H2,1-2H3
InChIKeyHDJLPXBLTQYTMC-UHFFFAOYSA-N
XLogP2.47
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-ethyl-3-hydroxy-2-oxo-3-phenylindole-5-carboxylate?
The IUPAC name of ethyl 1-ethyl-3-hydroxy-2-oxo-3-phenylindole-5-carboxylate (CID 135068315) is ethyl 1-ethyl-3-hydroxy-2-oxo-3-phenylindole-5-carboxylate.
What is the SMILES notation for ethyl 1-ethyl-3-hydroxy-2-oxo-3-phenylindole-5-carboxylate?
The canonical SMILES for ethyl 1-ethyl-3-hydroxy-2-oxo-3-phenylindole-5-carboxylate is CCOC(=O)c1ccc2c(c1)C(O)(c1ccccc1)C(=O)N2CC.
What is the InChIKey of ethyl 1-ethyl-3-hydroxy-2-oxo-3-phenylindole-5-carboxylate?
The InChIKey is HDJLPXBLTQYTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-3-20-16-11-10-13(17(21)24-4-2)12-15(16)19(23,18(20)22)14-8-6-5-7-9-14/h5-12,23H,3-4H2,1-2H3.
What are the key properties of ethyl 1-ethyl-3-hydroxy-2-oxo-3-phenylindole-5-carboxylate?
ethyl 1-ethyl-3-hydroxy-2-oxo-3-phenylindole-5-carboxylate has a molecular weight of 325.36 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-ethyl-3-hydroxy-2-oxo-3-phenylindole-5-carboxylate is sourced from PubChem (CID 135068315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).