ethyl 6-[2-(diethylamino)ethoxy]-1,2-dimethylindole-3-carboxylate

C19H28N2O3 — CID 1253334

IUPACethyl 6-[2-(diethylamino)ethoxy]-1,2-dimethylindole-3-carboxylate
SMILESCCOC(=O)c1c(C)n(C)c2cc(OCCN(CC)CC)ccc12
InChIInChI=1S/C19H28N2O3/c1-6-21(7-2)11-12-24-15-9-10-16-17(13-15)20(5)14(4)18(16)19(22)23-8-3/h9-10,13H,6-8,11-12H2,1-5H3
InChIKeyXBYOLOQRZCKNAD-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.38
Rot. Bonds8

About ethyl 6-[2-(diethylamino)ethoxy]-1,2-dimethylindole-3-carboxylate

ethyl 6-[2-(diethylamino)ethoxy]-1,2-dimethylindole-3-carboxylate (PubChem CID 1253334) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is ethyl 6-[2-(diethylamino)ethoxy]-1,2-dimethylindole-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[2-(diethylamino)ethoxy]-1,2-dimethylindole-3-carboxylate
PubChem CID1253334
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Nameethyl 6-[2-(diethylamino)ethoxy]-1,2-dimethylindole-3-carboxylate
SMILESCCOC(=O)c1c(C)n(C)c2cc(OCCN(CC)CC)ccc12
InChIInChI=1S/C19H28N2O3/c1-6-21(7-2)11-12-24-15-9-10-16-17(13-15)20(5)14(4)18(16)19(22)23-8-3/h9-10,13H,6-8,11-12H2,1-5H3
InChIKeyXBYOLOQRZCKNAD-UHFFFAOYSA-N
XLogP3.38
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-[2-(diethylamino)ethoxy]-1,2-dimethylindole-3-carboxylate?
The IUPAC name of ethyl 6-[2-(diethylamino)ethoxy]-1,2-dimethylindole-3-carboxylate (CID 1253334) is ethyl 6-[2-(diethylamino)ethoxy]-1,2-dimethylindole-3-carboxylate.
What is the SMILES notation for ethyl 6-[2-(diethylamino)ethoxy]-1,2-dimethylindole-3-carboxylate?
The canonical SMILES for ethyl 6-[2-(diethylamino)ethoxy]-1,2-dimethylindole-3-carboxylate is CCOC(=O)c1c(C)n(C)c2cc(OCCN(CC)CC)ccc12.
What is the InChIKey of ethyl 6-[2-(diethylamino)ethoxy]-1,2-dimethylindole-3-carboxylate?
The InChIKey is XBYOLOQRZCKNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-6-21(7-2)11-12-24-15-9-10-16-17(13-15)20(5)14(4)18(16)19(22)23-8-3/h9-10,13H,6-8,11-12H2,1-5H3.
What are the key properties of ethyl 6-[2-(diethylamino)ethoxy]-1,2-dimethylindole-3-carboxylate?
ethyl 6-[2-(diethylamino)ethoxy]-1,2-dimethylindole-3-carboxylate has a molecular weight of 332.44 g/mol, XLogP of 3.38, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[2-(diethylamino)ethoxy]-1,2-dimethylindole-3-carboxylate is sourced from PubChem (CID 1253334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).