ethyl 1,2-dimethyl-5-[(2R)-pentan-2-yl]oxyindole-3-carboxylate

C18H25NO3 — CID 99990884

IUPACethyl 1,2-dimethyl-5-[(2R)-pentan-2-yl]oxyindole-3-carboxylate
SMILESCCC[C@@H](C)Oc1ccc2c(c1)c(C(=O)OCC)c(C)n2C
InChIInChI=1S/C18H25NO3/c1-6-8-12(3)22-14-9-10-16-15(11-14)17(13(4)19(16)5)18(20)21-7-2/h9-12H,6-8H2,1-5H3/t12-/m1/s1
InChIKeyRARWVEGPLLAYPP-GFCCVEGCSA-N
MW303.40 g/mol
LogP4.23
Rot. Bonds6

About ethyl 1,2-dimethyl-5-[(2R)-pentan-2-yl]oxyindole-3-carboxylate

ethyl 1,2-dimethyl-5-[(2R)-pentan-2-yl]oxyindole-3-carboxylate (PubChem CID 99990884) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is ethyl 1,2-dimethyl-5-[(2R)-pentan-2-yl]oxyindole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1,2-dimethyl-5-[(2R)-pentan-2-yl]oxyindole-3-carboxylate
PubChem CID99990884
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Nameethyl 1,2-dimethyl-5-[(2R)-pentan-2-yl]oxyindole-3-carboxylate
SMILESCCC[C@@H](C)Oc1ccc2c(c1)c(C(=O)OCC)c(C)n2C
InChIInChI=1S/C18H25NO3/c1-6-8-12(3)22-14-9-10-16-15(11-14)17(13(4)19(16)5)18(20)21-7-2/h9-12H,6-8H2,1-5H3/t12-/m1/s1
InChIKeyRARWVEGPLLAYPP-GFCCVEGCSA-N
XLogP4.23
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1,2-dimethyl-5-(methylcarbamoyloxy)indole-3-carboxylate
CID 792346
2-(3-ethoxycarbonyl-1,2-dimethylindol-5-yl)oxyethyl-dimethylazanium
CID 4075047
ethyl 1,2-dimethyl-5-(2-phenoxyacetyl)oxyindole-3-carboxylate
CID 1319681
ethyl 5-[3-(azepan-1-yl)-2-hydroxypropoxy]-1,2-dimethylindole-3-carboxylate
CID 4109523
ethyl 5-[3-(dicyclohexylamino)-2-hydroxypropoxy]-1,2-dimethylindole-3-carboxylate
CID 17028326
ethyl 5-[(2S)-3-anilino-2-hydroxypropoxy]-1,2-dimethylindole-3-carboxylate
CID 1091088
ethyl 5-(2-hydroxy-3-morpholin-4-ium-4-ylpropoxy)-1,2-dimethylindole-3-carboxylate
CID 3488357
ethyl 1-[4-(diethylamino)phenyl]-5-[1-(dimethylamino)propan-2-yloxy]-2-methylindole-3-carboxylate
CID 23935259
ethyl 5-[3-(cyclopentylamino)-2-hydroxypropoxy]-1,2-dimethylindole-3-carboxylate
CID 17028311
ethyl 5-[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]oxy-1,2-dimethylindole-3-carboxylate
CID 1084360
ethyl 5-[1-(dimethylamino)propan-2-yloxy]-1-(2-methoxyphenyl)-2-methylindole-3-carboxylate
CID 23742025
ethyl 5-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]-1,2-dimethylindole-3-carboxylate
CID 2206265

Frequently Asked Questions

What is the IUPAC name of ethyl 1,2-dimethyl-5-[(2R)-pentan-2-yl]oxyindole-3-carboxylate?
The IUPAC name of ethyl 1,2-dimethyl-5-[(2R)-pentan-2-yl]oxyindole-3-carboxylate (CID 99990884) is ethyl 1,2-dimethyl-5-[(2R)-pentan-2-yl]oxyindole-3-carboxylate.
What is the SMILES notation for ethyl 1,2-dimethyl-5-[(2R)-pentan-2-yl]oxyindole-3-carboxylate?
The canonical SMILES for ethyl 1,2-dimethyl-5-[(2R)-pentan-2-yl]oxyindole-3-carboxylate is CCC[C@@H](C)Oc1ccc2c(c1)c(C(=O)OCC)c(C)n2C.
What is the InChIKey of ethyl 1,2-dimethyl-5-[(2R)-pentan-2-yl]oxyindole-3-carboxylate?
The InChIKey is RARWVEGPLLAYPP-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H25NO3/c1-6-8-12(3)22-14-9-10-16-15(11-14)17(13(4)19(16)5)18(20)21-7-2/h9-12H,6-8H2,1-5H3/t12-/m1/s1.
What are the key properties of ethyl 1,2-dimethyl-5-[(2R)-pentan-2-yl]oxyindole-3-carboxylate?
ethyl 1,2-dimethyl-5-[(2R)-pentan-2-yl]oxyindole-3-carboxylate has a molecular weight of 303.40 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,2-dimethyl-5-[(2R)-pentan-2-yl]oxyindole-3-carboxylate is sourced from PubChem (CID 99990884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).