ethyl 3-(2-ethoxy-2-oxoethyl)-5-methoxy-1H-indole-2-carboxylate

C16H19NO5 — CID 10590673

IUPACethyl 3-(2-ethoxy-2-oxoethyl)-5-methoxy-1H-indole-2-carboxylate
SMILESCCOC(=O)Cc1c(C(=O)OCC)[nH]c2ccc(OC)cc12
InChIInChI=1S/C16H19NO5/c1-4-21-14(18)9-12-11-8-10(20-3)6-7-13(11)17-15(12)16(19)22-5-2/h6-8,17H,4-5,9H2,1-3H3
InChIKeyOKPMFZDZEOTQHK-UHFFFAOYSA-N
MW305.33 g/mol
LogP2.46
Rot. Bonds6

About ethyl 3-(2-ethoxy-2-oxoethyl)-5-methoxy-1H-indole-2-carboxylate

ethyl 3-(2-ethoxy-2-oxoethyl)-5-methoxy-1H-indole-2-carboxylate (PubChem CID 10590673) has the molecular formula C16H19NO5 and a molecular weight of 305.33 g/mol. Its IUPAC name is ethyl 3-(2-ethoxy-2-oxoethyl)-5-methoxy-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2-ethoxy-2-oxoethyl)-5-methoxy-1H-indole-2-carboxylate
PubChem CID10590673
Molecular FormulaC16H19NO5
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC Nameethyl 3-(2-ethoxy-2-oxoethyl)-5-methoxy-1H-indole-2-carboxylate
SMILESCCOC(=O)Cc1c(C(=O)OCC)[nH]c2ccc(OC)cc12
InChIInChI=1S/C16H19NO5/c1-4-21-14(18)9-12-11-8-10(20-3)6-7-13(11)17-15(12)16(19)22-5-2/h6-8,17H,4-5,9H2,1-3H3
InChIKeyOKPMFZDZEOTQHK-UHFFFAOYSA-N
XLogP2.46
TPSA77.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze ethyl 3-(2-ethoxy-2-oxoethyl)-5-methoxy-1H-indole-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-[(dimethylamino)methyl]-5-methoxy-1H-indole-2-carboxylate
CID 907671
ethyl 3-(2-ethoxy-2-oxoethyl)-1H-indole-2-carboxylate
CID 11821846
ethyl 2-[2-(1-aminoethyl)-5-methoxy-1H-indol-3-yl]acetate
CID 70508513
ethyl 3-(ethoxycarbonylamino)-5-methoxy-1H-indole-2-carboxylate
CID 6615701
ethyl 5-methoxy-3-nitro-1H-indole-2-carboxylate
CID 141442402
ethyl 3-isothiocyanato-5-methoxy-1H-indole-2-carboxylate
CID 53337739
ethyl 2-(2,7-dimethoxyanthracen-9-yl)acetate
CID 132539637
ethyl 3-(aminomethyl)-5-phenoxy-1H-indole-2-carboxylate
CID 94949097
[anilino(methylsulfanyl)methylidene]-[2-(2-ethoxycarbonyl-5-methoxy-1H-indol-3-yl)ethyl]azanium
CID 23244765
ethyl 5-ethoxy-3-methyl-1H-indole-2-carboxylate
CID 4777692
[2-[(2-ethoxycarbonyl-5-methoxy-1H-indol-3-yl)amino]-2-oxoethyl]-diethylazanium
CID 6944330
ethyl 3-ethyl-5-fluoro-1H-indole-2-carboxylate
CID 18986264

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-ethoxy-2-oxoethyl)-5-methoxy-1H-indole-2-carboxylate?
The IUPAC name of ethyl 3-(2-ethoxy-2-oxoethyl)-5-methoxy-1H-indole-2-carboxylate (CID 10590673) is ethyl 3-(2-ethoxy-2-oxoethyl)-5-methoxy-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 3-(2-ethoxy-2-oxoethyl)-5-methoxy-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 3-(2-ethoxy-2-oxoethyl)-5-methoxy-1H-indole-2-carboxylate is CCOC(=O)Cc1c(C(=O)OCC)[nH]c2ccc(OC)cc12.
What is the InChIKey of ethyl 3-(2-ethoxy-2-oxoethyl)-5-methoxy-1H-indole-2-carboxylate?
The InChIKey is OKPMFZDZEOTQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO5/c1-4-21-14(18)9-12-11-8-10(20-3)6-7-13(11)17-15(12)16(19)22-5-2/h6-8,17H,4-5,9H2,1-3H3.
What are the key properties of ethyl 3-(2-ethoxy-2-oxoethyl)-5-methoxy-1H-indole-2-carboxylate?
ethyl 3-(2-ethoxy-2-oxoethyl)-5-methoxy-1H-indole-2-carboxylate has a molecular weight of 305.33 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-ethoxy-2-oxoethyl)-5-methoxy-1H-indole-2-carboxylate is sourced from PubChem (CID 10590673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).