methyl 1-(2-ethoxy-2-oxoethyl)indole-3-carboxylate

C14H15NO4 — CID 654649

IUPACmethyl 1-(2-ethoxy-2-oxoethyl)indole-3-carboxylate
SMILESCCOC(=O)Cn1cc(C(=O)OC)c2ccccc21
InChIInChI=1S/C14H15NO4/c1-3-19-13(16)9-15-8-11(14(17)18-2)10-6-4-5-7-12(10)15/h4-8H,3,9H2,1-2H3
InChIKeyQEHNGPJIVBJKOI-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.99
Rot. Bonds4

About methyl 1-(2-ethoxy-2-oxoethyl)indole-3-carboxylate

methyl 1-(2-ethoxy-2-oxoethyl)indole-3-carboxylate (PubChem CID 654649) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is methyl 1-(2-ethoxy-2-oxoethyl)indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-ethoxy-2-oxoethyl)indole-3-carboxylate
PubChem CID654649
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Namemethyl 1-(2-ethoxy-2-oxoethyl)indole-3-carboxylate
SMILESCCOC(=O)Cn1cc(C(=O)OC)c2ccccc21
InChIInChI=1S/C14H15NO4/c1-3-19-13(16)9-15-8-11(14(17)18-2)10-6-4-5-7-12(10)15/h4-8H,3,9H2,1-2H3
InChIKeyQEHNGPJIVBJKOI-UHFFFAOYSA-N
XLogP1.99
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(3-butanoylindol-1-yl)acetate
CID 4517747
2-(3-methoxycarbonylindol-1-yl)acetic acid
CID 4962452
ethyl 2-(3-ethylindol-1-yl)acetate
CID 59177495
ethane;ethyl 2-(3-ethenylindol-1-yl)acetate
CID 145169068
ethyl 4-amino-2-[[2-(3-methoxycarbonylindol-1-yl)acetyl]oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 37160678
methyl 1-[2-(7-methoxynaphthalen-2-yl)oxy-2-oxoethyl]indole-3-carboxylate
CID 36660893
methyl 1-(3-amino-3-methylbutyl)indole-3-carboxylate
CID 58875117
methyl 1-[2-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]-2-oxoethyl]indole-3-carboxylate
CID 30090937
methyl 2-[3-(2,2-dimethylpropanoyl)indol-1-yl]acetate
CID 2973654
methyl 1-(cyclohexylmethyl)indole-3-carboxylate
CID 124518894
methyl 1-[2-oxo-2-[4-(phenylcarbamoylamino)anilino]ethyl]indole-3-carboxylate
CID 46553530
methyl 2-[3-[2-(diethylamino)-2-oxoacetyl]indol-1-yl]acetate
CID 21380679

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-ethoxy-2-oxoethyl)indole-3-carboxylate?
The IUPAC name of methyl 1-(2-ethoxy-2-oxoethyl)indole-3-carboxylate (CID 654649) is methyl 1-(2-ethoxy-2-oxoethyl)indole-3-carboxylate.
What is the SMILES notation for methyl 1-(2-ethoxy-2-oxoethyl)indole-3-carboxylate?
The canonical SMILES for methyl 1-(2-ethoxy-2-oxoethyl)indole-3-carboxylate is CCOC(=O)Cn1cc(C(=O)OC)c2ccccc21.
What is the InChIKey of methyl 1-(2-ethoxy-2-oxoethyl)indole-3-carboxylate?
The InChIKey is QEHNGPJIVBJKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-3-19-13(16)9-15-8-11(14(17)18-2)10-6-4-5-7-12(10)15/h4-8H,3,9H2,1-2H3.
What are the key properties of methyl 1-(2-ethoxy-2-oxoethyl)indole-3-carboxylate?
methyl 1-(2-ethoxy-2-oxoethyl)indole-3-carboxylate has a molecular weight of 261.28 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-ethoxy-2-oxoethyl)indole-3-carboxylate is sourced from PubChem (CID 654649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).