ethyl 3-benzyl-4-oxo-6-phenyl-1,5,6,7-tetrahydroindole-2-carboxylate

C24H23NO3 — CID 15989770

IUPACethyl 3-benzyl-4-oxo-6-phenyl-1,5,6,7-tetrahydroindole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2c(c1Cc1ccccc1)C(=O)CC(c1ccccc1)C2
InChIInChI=1S/C24H23NO3/c1-2-28-24(27)23-19(13-16-9-5-3-6-10-16)22-20(25-23)14-18(15-21(22)26)17-11-7-4-8-12-17/h3-12,18,25H,2,13-15H2,1H3
InChIKeyPWAIIYWTEJEUDP-UHFFFAOYSA-N
MW373.45 g/mol
LogP4.69
Rot. Bonds5

About ethyl 3-benzyl-4-oxo-6-phenyl-1,5,6,7-tetrahydroindole-2-carboxylate

ethyl 3-benzyl-4-oxo-6-phenyl-1,5,6,7-tetrahydroindole-2-carboxylate (PubChem CID 15989770) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is ethyl 3-benzyl-4-oxo-6-phenyl-1,5,6,7-tetrahydroindole-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-benzyl-4-oxo-6-phenyl-1,5,6,7-tetrahydroindole-2-carboxylate
PubChem CID15989770
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Nameethyl 3-benzyl-4-oxo-6-phenyl-1,5,6,7-tetrahydroindole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2c(c1Cc1ccccc1)C(=O)CC(c1ccccc1)C2
InChIInChI=1S/C24H23NO3/c1-2-28-24(27)23-19(13-16-9-5-3-6-10-16)22-20(25-23)14-18(15-21(22)26)17-11-7-4-8-12-17/h3-12,18,25H,2,13-15H2,1H3
InChIKeyPWAIIYWTEJEUDP-UHFFFAOYSA-N
XLogP4.69
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-benzyl-4-oxo-6-phenyl-1,5,6,7-tetrahydroindole-2-carboxylate?
The IUPAC name of ethyl 3-benzyl-4-oxo-6-phenyl-1,5,6,7-tetrahydroindole-2-carboxylate (CID 15989770) is ethyl 3-benzyl-4-oxo-6-phenyl-1,5,6,7-tetrahydroindole-2-carboxylate.
What is the SMILES notation for ethyl 3-benzyl-4-oxo-6-phenyl-1,5,6,7-tetrahydroindole-2-carboxylate?
The canonical SMILES for ethyl 3-benzyl-4-oxo-6-phenyl-1,5,6,7-tetrahydroindole-2-carboxylate is CCOC(=O)c1[nH]c2c(c1Cc1ccccc1)C(=O)CC(c1ccccc1)C2.
What is the InChIKey of ethyl 3-benzyl-4-oxo-6-phenyl-1,5,6,7-tetrahydroindole-2-carboxylate?
The InChIKey is PWAIIYWTEJEUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO3/c1-2-28-24(27)23-19(13-16-9-5-3-6-10-16)22-20(25-23)14-18(15-21(22)26)17-11-7-4-8-12-17/h3-12,18,25H,2,13-15H2,1H3.
What are the key properties of ethyl 3-benzyl-4-oxo-6-phenyl-1,5,6,7-tetrahydroindole-2-carboxylate?
ethyl 3-benzyl-4-oxo-6-phenyl-1,5,6,7-tetrahydroindole-2-carboxylate has a molecular weight of 373.45 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-benzyl-4-oxo-6-phenyl-1,5,6,7-tetrahydroindole-2-carboxylate is sourced from PubChem (CID 15989770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).