N-(1-ethyl-5-methoxy-2-oxo-3H-indol-3-yl)acetamide

C13H16N2O3 — CID 665358

IUPACN-(1-ethyl-5-methoxy-2-oxo-3H-indol-3-yl)acetamide
SMILESCCN1C(=O)C(NC(C)=O)c2cc(OC)ccc21
InChIInChI=1S/C13H16N2O3/c1-4-15-11-6-5-9(18-3)7-10(11)12(13(15)17)14-8(2)16/h5-7,12H,4H2,1-3H3,(H,14,16)
InChIKeyXSONJWONPSTGSX-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.24
Rot. Bonds3

About N-(1-ethyl-5-methoxy-2-oxo-3H-indol-3-yl)acetamide

N-(1-ethyl-5-methoxy-2-oxo-3H-indol-3-yl)acetamide (PubChem CID 665358) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is N-(1-ethyl-5-methoxy-2-oxo-3H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(1-ethyl-5-methoxy-2-oxo-3H-indol-3-yl)acetamide
PubChem CID665358
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC NameN-(1-ethyl-5-methoxy-2-oxo-3H-indol-3-yl)acetamide
SMILESCCN1C(=O)C(NC(C)=O)c2cc(OC)ccc21
InChIInChI=1S/C13H16N2O3/c1-4-15-11-6-5-9(18-3)7-10(11)12(13(15)17)14-8(2)16/h5-7,12H,4H2,1-3H3,(H,14,16)
InChIKeyXSONJWONPSTGSX-UHFFFAOYSA-N
XLogP1.24
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-5-methoxy-2-oxo-3H-indol-3-yl)acetamide?
The IUPAC name of N-(1-ethyl-5-methoxy-2-oxo-3H-indol-3-yl)acetamide (CID 665358) is N-(1-ethyl-5-methoxy-2-oxo-3H-indol-3-yl)acetamide.
What is the SMILES notation for N-(1-ethyl-5-methoxy-2-oxo-3H-indol-3-yl)acetamide?
The canonical SMILES for N-(1-ethyl-5-methoxy-2-oxo-3H-indol-3-yl)acetamide is CCN1C(=O)C(NC(C)=O)c2cc(OC)ccc21.
What is the InChIKey of N-(1-ethyl-5-methoxy-2-oxo-3H-indol-3-yl)acetamide?
The InChIKey is XSONJWONPSTGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-4-15-11-6-5-9(18-3)7-10(11)12(13(15)17)14-8(2)16/h5-7,12H,4H2,1-3H3,(H,14,16).
What are the key properties of N-(1-ethyl-5-methoxy-2-oxo-3H-indol-3-yl)acetamide?
N-(1-ethyl-5-methoxy-2-oxo-3H-indol-3-yl)acetamide has a molecular weight of 248.28 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-5-methoxy-2-oxo-3H-indol-3-yl)acetamide is sourced from PubChem (CID 665358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).