ethyl 1,2-dimethyl-5-(methylcarbamoyloxy)indole-3-carboxylate

C15H18N2O4 — CID 792346

IUPACethyl 1,2-dimethyl-5-(methylcarbamoyloxy)indole-3-carboxylate
SMILESCCOC(=O)c1c(C)n(C)c2ccc(OC(=O)NC)cc12
InChIInChI=1S/C15H18N2O4/c1-5-20-14(18)13-9(2)17(4)12-7-6-10(8-11(12)13)21-15(19)16-3/h6-8H,5H2,1-4H3,(H,16,19)
InChIKeyGQNLCKJLPAKEEW-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.38
Rot. Bonds3

About ethyl 1,2-dimethyl-5-(methylcarbamoyloxy)indole-3-carboxylate

ethyl 1,2-dimethyl-5-(methylcarbamoyloxy)indole-3-carboxylate (PubChem CID 792346) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is ethyl 1,2-dimethyl-5-(methylcarbamoyloxy)indole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1,2-dimethyl-5-(methylcarbamoyloxy)indole-3-carboxylate
PubChem CID792346
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Nameethyl 1,2-dimethyl-5-(methylcarbamoyloxy)indole-3-carboxylate
SMILESCCOC(=O)c1c(C)n(C)c2ccc(OC(=O)NC)cc12
InChIInChI=1S/C15H18N2O4/c1-5-20-14(18)13-9(2)17(4)12-7-6-10(8-11(12)13)21-15(19)16-3/h6-8H,5H2,1-4H3,(H,16,19)
InChIKeyGQNLCKJLPAKEEW-UHFFFAOYSA-N
XLogP2.38
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1,2-dimethyl-5-(2-phenoxyacetyl)oxyindole-3-carboxylate
CID 1319681
ethyl 1,2-dimethyl-5-[(2R)-pentan-2-yl]oxyindole-3-carboxylate
CID 99990884
2-(3-ethoxycarbonyl-1,2-dimethylindol-5-yl)oxyethyl-dimethylazanium
CID 4075047
ethyl 5-[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]oxy-1,2-dimethylindole-3-carboxylate
CID 1084360
ethyl 5-[(2S)-3-anilino-2-hydroxypropoxy]-1,2-dimethylindole-3-carboxylate
CID 1091088
2-methoxyethyl 5-(cyclopropanecarbonyloxy)-1,2-dimethylindole-3-carboxylate
CID 666647
ethyl 5-(2-hydroxy-3-morpholin-4-ium-4-ylpropoxy)-1,2-dimethylindole-3-carboxylate
CID 3488357
ethyl 5-[3-(cyclopentylamino)-2-hydroxypropoxy]-1,2-dimethylindole-3-carboxylate
CID 17028311
ethyl 5-[3-(azepan-1-yl)-2-hydroxypropoxy]-1,2-dimethylindole-3-carboxylate
CID 4109523
(5-acetyloxy-3-ethoxycarbonyl-1-methylindol-2-yl)methyl-dimethylazanium chloride
CID 44662074
(3-carbonochloridoyl-1,2-dimethylindol-5-yl) acetate
CID 86672895
ethyl 6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indole-3-carboxylate
CID 83984337

Frequently Asked Questions

What is the IUPAC name of ethyl 1,2-dimethyl-5-(methylcarbamoyloxy)indole-3-carboxylate?
The IUPAC name of ethyl 1,2-dimethyl-5-(methylcarbamoyloxy)indole-3-carboxylate (CID 792346) is ethyl 1,2-dimethyl-5-(methylcarbamoyloxy)indole-3-carboxylate.
What is the SMILES notation for ethyl 1,2-dimethyl-5-(methylcarbamoyloxy)indole-3-carboxylate?
The canonical SMILES for ethyl 1,2-dimethyl-5-(methylcarbamoyloxy)indole-3-carboxylate is CCOC(=O)c1c(C)n(C)c2ccc(OC(=O)NC)cc12.
What is the InChIKey of ethyl 1,2-dimethyl-5-(methylcarbamoyloxy)indole-3-carboxylate?
The InChIKey is GQNLCKJLPAKEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-5-20-14(18)13-9(2)17(4)12-7-6-10(8-11(12)13)21-15(19)16-3/h6-8H,5H2,1-4H3,(H,16,19).
What are the key properties of ethyl 1,2-dimethyl-5-(methylcarbamoyloxy)indole-3-carboxylate?
ethyl 1,2-dimethyl-5-(methylcarbamoyloxy)indole-3-carboxylate has a molecular weight of 290.32 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,2-dimethyl-5-(methylcarbamoyloxy)indole-3-carboxylate is sourced from PubChem (CID 792346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).