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

C21H21NO5 — CID 135067596

IUPACethyl 3-acetyloxy-1-ethyl-2-oxo-3-phenylindole-5-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)C(OC(C)=O)(c1ccccc1)C(=O)N2CC
InChIInChI=1S/C21H21NO5/c1-4-22-18-12-11-15(19(24)26-5-2)13-17(18)21(20(22)25,27-14(3)23)16-9-7-6-8-10-16/h6-13H,4-5H2,1-3H3
InChIKeyOYBFXPDREDVCFY-UHFFFAOYSA-N
MW367.40 g/mol
LogP3.04
Rot. Bonds5

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

ethyl 3-acetyloxy-1-ethyl-2-oxo-3-phenylindole-5-carboxylate (PubChem CID 135067596) has the molecular formula C21H21NO5 and a molecular weight of 367.40 g/mol. Its IUPAC name is ethyl 3-acetyloxy-1-ethyl-2-oxo-3-phenylindole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-acetyloxy-1-ethyl-2-oxo-3-phenylindole-5-carboxylate
PubChem CID135067596
Molecular FormulaC21H21NO5
Molecular Weight367.40 g/mol
Exact Mass367.14
IUPAC Nameethyl 3-acetyloxy-1-ethyl-2-oxo-3-phenylindole-5-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)C(OC(C)=O)(c1ccccc1)C(=O)N2CC
InChIInChI=1S/C21H21NO5/c1-4-22-18-12-11-15(19(24)26-5-2)13-17(18)21(20(22)25,27-14(3)23)16-9-7-6-8-10-16/h6-13H,4-5H2,1-3H3
InChIKeyOYBFXPDREDVCFY-UHFFFAOYSA-N
XLogP3.04
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-acetyloxy-1-ethyl-2-oxo-3-phenylindole-5-carboxylate?
The IUPAC name of ethyl 3-acetyloxy-1-ethyl-2-oxo-3-phenylindole-5-carboxylate (CID 135067596) is ethyl 3-acetyloxy-1-ethyl-2-oxo-3-phenylindole-5-carboxylate.
What is the SMILES notation for ethyl 3-acetyloxy-1-ethyl-2-oxo-3-phenylindole-5-carboxylate?
The canonical SMILES for ethyl 3-acetyloxy-1-ethyl-2-oxo-3-phenylindole-5-carboxylate is CCOC(=O)c1ccc2c(c1)C(OC(C)=O)(c1ccccc1)C(=O)N2CC.
What is the InChIKey of ethyl 3-acetyloxy-1-ethyl-2-oxo-3-phenylindole-5-carboxylate?
The InChIKey is OYBFXPDREDVCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO5/c1-4-22-18-12-11-15(19(24)26-5-2)13-17(18)21(20(22)25,27-14(3)23)16-9-7-6-8-10-16/h6-13H,4-5H2,1-3H3.
What are the key properties of ethyl 3-acetyloxy-1-ethyl-2-oxo-3-phenylindole-5-carboxylate?
ethyl 3-acetyloxy-1-ethyl-2-oxo-3-phenylindole-5-carboxylate has a molecular weight of 367.40 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-acetyloxy-1-ethyl-2-oxo-3-phenylindole-5-carboxylate is sourced from PubChem (CID 135067596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).