ethyl 3-benzoyl-1-ethylindole-5-carboxylate

C20H19NO3 — CID 170857423

IUPACethyl 3-benzoyl-1-ethylindole-5-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)c(C(=O)c1ccccc1)cn2CC
InChIInChI=1S/C20H19NO3/c1-3-21-13-17(19(22)14-8-6-5-7-9-14)16-12-15(10-11-18(16)21)20(23)24-4-2/h5-13H,3-4H2,1-2H3
InChIKeyNQJPXIGIAVCUQA-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.07
Rot. Bonds5

About ethyl 3-benzoyl-1-ethylindole-5-carboxylate

ethyl 3-benzoyl-1-ethylindole-5-carboxylate (PubChem CID 170857423) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is ethyl 3-benzoyl-1-ethylindole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-benzoyl-1-ethylindole-5-carboxylate
PubChem CID170857423
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Nameethyl 3-benzoyl-1-ethylindole-5-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)c(C(=O)c1ccccc1)cn2CC
InChIInChI=1S/C20H19NO3/c1-3-21-13-17(19(22)14-8-6-5-7-9-14)16-12-15(10-11-18(16)21)20(23)24-4-2/h5-13H,3-4H2,1-2H3
InChIKeyNQJPXIGIAVCUQA-UHFFFAOYSA-N
XLogP4.07
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-acetyl-1-ethylindole-5-carboxylate
CID 170857395
ethyl 3-benzoyl-1H-indole-5-carboxylate
CID 10589798
(5-bromo-1-ethylindol-3-yl)-(4-chlorophenyl)methanone
CID 15312697
diethyl 1-ethyl-2-oxoquinoline-4,6-dicarboxylate
CID 11359009
ethyl 4-[(1-ethylindol-3-yl)methylideneamino]benzoate
CID 23476830
ethyl 4-[4-(4-benzoylphenyl)phenyl]benzoate
CID 59266192
1-ethyl-5-methylindole-3-carboxylic acid
CID 52911028
diethyl benzene-1,3-dicarboxylate
CID 12491
CID 158970570
CID 158970570
ethyl 4-[(1-ethyl-6-fluoro-4-oxoquinoline-3-carbonyl)amino]benzoate
CID 39850939
diethyl 2-phenoxybenzene-1,4-dicarboxylate;diphenylmethanone
CID 174910592
(4-methylphenyl)-(1-propylindol-3-yl)methanone
CID 170857121

Frequently Asked Questions

What is the IUPAC name of ethyl 3-benzoyl-1-ethylindole-5-carboxylate?
The IUPAC name of ethyl 3-benzoyl-1-ethylindole-5-carboxylate (CID 170857423) is ethyl 3-benzoyl-1-ethylindole-5-carboxylate.
What is the SMILES notation for ethyl 3-benzoyl-1-ethylindole-5-carboxylate?
The canonical SMILES for ethyl 3-benzoyl-1-ethylindole-5-carboxylate is CCOC(=O)c1ccc2c(c1)c(C(=O)c1ccccc1)cn2CC.
What is the InChIKey of ethyl 3-benzoyl-1-ethylindole-5-carboxylate?
The InChIKey is NQJPXIGIAVCUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-3-21-13-17(19(22)14-8-6-5-7-9-14)16-12-15(10-11-18(16)21)20(23)24-4-2/h5-13H,3-4H2,1-2H3.
What are the key properties of ethyl 3-benzoyl-1-ethylindole-5-carboxylate?
ethyl 3-benzoyl-1-ethylindole-5-carboxylate has a molecular weight of 321.38 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-benzoyl-1-ethylindole-5-carboxylate is sourced from PubChem (CID 170857423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).