ethyl 2-(5-acetamido-1H-indol-3-yl)acetate

C14H16N2O3 — CID 138983755

IUPACethyl 2-(5-acetamido-1H-indol-3-yl)acetate
SMILESCCOC(=O)Cc1c[nH]c2ccc(NC(C)=O)cc12
InChIInChI=1S/C14H16N2O3/c1-3-19-14(18)6-10-8-15-13-5-4-11(7-12(10)13)16-9(2)17/h4-5,7-8,15H,3,6H2,1-2H3,(H,16,17)
InChIKeyXUGUJDZBNKVPKZ-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.23
Rot. Bonds4

About ethyl 2-(5-acetamido-1H-indol-3-yl)acetate

ethyl 2-(5-acetamido-1H-indol-3-yl)acetate (PubChem CID 138983755) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is ethyl 2-(5-acetamido-1H-indol-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-acetamido-1H-indol-3-yl)acetate
PubChem CID138983755
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Nameethyl 2-(5-acetamido-1H-indol-3-yl)acetate
SMILESCCOC(=O)Cc1c[nH]c2ccc(NC(C)=O)cc12
InChIInChI=1S/C14H16N2O3/c1-3-19-14(18)6-10-8-15-13-5-4-11(7-12(10)13)16-9(2)17/h4-5,7-8,15H,3,6H2,1-2H3,(H,16,17)
InChIKeyXUGUJDZBNKVPKZ-UHFFFAOYSA-N
XLogP2.23
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-acetamido-1H-indol-3-yl)acetate?
The IUPAC name of ethyl 2-(5-acetamido-1H-indol-3-yl)acetate (CID 138983755) is ethyl 2-(5-acetamido-1H-indol-3-yl)acetate.
What is the SMILES notation for ethyl 2-(5-acetamido-1H-indol-3-yl)acetate?
The canonical SMILES for ethyl 2-(5-acetamido-1H-indol-3-yl)acetate is CCOC(=O)Cc1c[nH]c2ccc(NC(C)=O)cc12.
What is the InChIKey of ethyl 2-(5-acetamido-1H-indol-3-yl)acetate?
The InChIKey is XUGUJDZBNKVPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-3-19-14(18)6-10-8-15-13-5-4-11(7-12(10)13)16-9(2)17/h4-5,7-8,15H,3,6H2,1-2H3,(H,16,17).
What are the key properties of ethyl 2-(5-acetamido-1H-indol-3-yl)acetate?
ethyl 2-(5-acetamido-1H-indol-3-yl)acetate has a molecular weight of 260.29 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-acetamido-1H-indol-3-yl)acetate is sourced from PubChem (CID 138983755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).