N-(5-ethoxy-2-hydroxy-1H-indol-3-yl)acetamide

C12H14N2O3 — CID 1213078

IUPACN-(5-ethoxy-2-hydroxy-1H-indol-3-yl)acetamide
SMILESCCOc1ccc2[nH]c(O)c(NC(C)=O)c2c1
InChIInChI=1S/C12H14N2O3/c1-3-17-8-4-5-10-9(6-8)11(12(16)14-10)13-7(2)15/h4-6,14,16H,3H2,1-2H3,(H,13,15)
InChIKeyVSVYFDVPMMFQLH-UHFFFAOYSA-N
MW234.25 g/mol
LogP2.23
Rot. Bonds3

About N-(5-ethoxy-2-hydroxy-1H-indol-3-yl)acetamide

N-(5-ethoxy-2-hydroxy-1H-indol-3-yl)acetamide (PubChem CID 1213078) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is N-(5-ethoxy-2-hydroxy-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(5-ethoxy-2-hydroxy-1H-indol-3-yl)acetamide
PubChem CID1213078
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC NameN-(5-ethoxy-2-hydroxy-1H-indol-3-yl)acetamide
SMILESCCOc1ccc2[nH]c(O)c(NC(C)=O)c2c1
InChIInChI=1S/C12H14N2O3/c1-3-17-8-4-5-10-9(6-8)11(12(16)14-10)13-7(2)15/h4-6,14,16H,3H2,1-2H3,(H,13,15)
InChIKeyVSVYFDVPMMFQLH-UHFFFAOYSA-N
XLogP2.23
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethoxy-2-hydroxy-1H-indol-3-yl)acetamide?
The IUPAC name of N-(5-ethoxy-2-hydroxy-1H-indol-3-yl)acetamide (CID 1213078) is N-(5-ethoxy-2-hydroxy-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-(5-ethoxy-2-hydroxy-1H-indol-3-yl)acetamide?
The canonical SMILES for N-(5-ethoxy-2-hydroxy-1H-indol-3-yl)acetamide is CCOc1ccc2[nH]c(O)c(NC(C)=O)c2c1.
What is the InChIKey of N-(5-ethoxy-2-hydroxy-1H-indol-3-yl)acetamide?
The InChIKey is VSVYFDVPMMFQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-3-17-8-4-5-10-9(6-8)11(12(16)14-10)13-7(2)15/h4-6,14,16H,3H2,1-2H3,(H,13,15).
What are the key properties of N-(5-ethoxy-2-hydroxy-1H-indol-3-yl)acetamide?
N-(5-ethoxy-2-hydroxy-1H-indol-3-yl)acetamide has a molecular weight of 234.25 g/mol, XLogP of 2.23, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethoxy-2-hydroxy-1H-indol-3-yl)acetamide is sourced from PubChem (CID 1213078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).