ethyl 5-cyclopentyloxy-1-(2-methoxyethyl)-2-methylindole-3-carboxylate

C20H27NO4 — CID 99991134

IUPACethyl 5-cyclopentyloxy-1-(2-methoxyethyl)-2-methylindole-3-carboxylate
SMILESCCOC(=O)c1c(C)n(CCOC)c2ccc(OC3CCCC3)cc12
InChIInChI=1S/C20H27NO4/c1-4-24-20(22)19-14(2)21(11-12-23-3)18-10-9-16(13-17(18)19)25-15-7-5-6-8-15/h9-10,13,15H,4-8,11-12H2,1-3H3
InChIKeyNMHXGOWEJLLUEH-UHFFFAOYSA-N
MW345.44 g/mol
LogP4.09
Rot. Bonds7

About ethyl 5-cyclopentyloxy-1-(2-methoxyethyl)-2-methylindole-3-carboxylate

ethyl 5-cyclopentyloxy-1-(2-methoxyethyl)-2-methylindole-3-carboxylate (PubChem CID 99991134) has the molecular formula C20H27NO4 and a molecular weight of 345.44 g/mol. Its IUPAC name is ethyl 5-cyclopentyloxy-1-(2-methoxyethyl)-2-methylindole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-cyclopentyloxy-1-(2-methoxyethyl)-2-methylindole-3-carboxylate
PubChem CID99991134
Molecular FormulaC20H27NO4
Molecular Weight345.44 g/mol
Exact Mass345.19
IUPAC Nameethyl 5-cyclopentyloxy-1-(2-methoxyethyl)-2-methylindole-3-carboxylate
SMILESCCOC(=O)c1c(C)n(CCOC)c2ccc(OC3CCCC3)cc12
InChIInChI=1S/C20H27NO4/c1-4-24-20(22)19-14(2)21(11-12-23-3)18-10-9-16(13-17(18)19)25-15-7-5-6-8-15/h9-10,13,15H,4-8,11-12H2,1-3H3
InChIKeyNMHXGOWEJLLUEH-UHFFFAOYSA-N
XLogP4.09
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-cyclopentyloxy-1-(2-methoxyethyl)-2-methylindole-3-carboxylate?
The IUPAC name of ethyl 5-cyclopentyloxy-1-(2-methoxyethyl)-2-methylindole-3-carboxylate (CID 99991134) is ethyl 5-cyclopentyloxy-1-(2-methoxyethyl)-2-methylindole-3-carboxylate.
What is the SMILES notation for ethyl 5-cyclopentyloxy-1-(2-methoxyethyl)-2-methylindole-3-carboxylate?
The canonical SMILES for ethyl 5-cyclopentyloxy-1-(2-methoxyethyl)-2-methylindole-3-carboxylate is CCOC(=O)c1c(C)n(CCOC)c2ccc(OC3CCCC3)cc12.
What is the InChIKey of ethyl 5-cyclopentyloxy-1-(2-methoxyethyl)-2-methylindole-3-carboxylate?
The InChIKey is NMHXGOWEJLLUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO4/c1-4-24-20(22)19-14(2)21(11-12-23-3)18-10-9-16(13-17(18)19)25-15-7-5-6-8-15/h9-10,13,15H,4-8,11-12H2,1-3H3.
What are the key properties of ethyl 5-cyclopentyloxy-1-(2-methoxyethyl)-2-methylindole-3-carboxylate?
ethyl 5-cyclopentyloxy-1-(2-methoxyethyl)-2-methylindole-3-carboxylate has a molecular weight of 345.44 g/mol, XLogP of 4.09, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-cyclopentyloxy-1-(2-methoxyethyl)-2-methylindole-3-carboxylate is sourced from PubChem (CID 99991134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).