2-(4-ethyl-2-oxomorpholin-3-yl)-N-(1-methylindol-5-yl)acetamide

C17H21N3O3 — CID 44612078

IUPAC2-(4-ethyl-2-oxomorpholin-3-yl)-N-(1-methylindol-5-yl)acetamide
SMILESCCN1CCOC(=O)C1CC(=O)Nc1ccc2c(ccn2C)c1
InChIInChI=1S/C17H21N3O3/c1-3-20-8-9-23-17(22)15(20)11-16(21)18-13-4-5-14-12(10-13)6-7-19(14)2/h4-7,10,15H,3,8-9,11H2,1-2H3,(H,18,21)
InChIKeyRYKSEMSKZVSTDE-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.75
Rot. Bonds4

About 2-(4-ethyl-2-oxomorpholin-3-yl)-N-(1-methylindol-5-yl)acetamide

2-(4-ethyl-2-oxomorpholin-3-yl)-N-(1-methylindol-5-yl)acetamide (PubChem CID 44612078) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-(4-ethyl-2-oxomorpholin-3-yl)-N-(1-methylindol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-ethyl-2-oxomorpholin-3-yl)-N-(1-methylindol-5-yl)acetamide
PubChem CID44612078
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name2-(4-ethyl-2-oxomorpholin-3-yl)-N-(1-methylindol-5-yl)acetamide
SMILESCCN1CCOC(=O)C1CC(=O)Nc1ccc2c(ccn2C)c1
InChIInChI=1S/C17H21N3O3/c1-3-20-8-9-23-17(22)15(20)11-16(21)18-13-4-5-14-12(10-13)6-7-19(14)2/h4-7,10,15H,3,8-9,11H2,1-2H3,(H,18,21)
InChIKeyRYKSEMSKZVSTDE-UHFFFAOYSA-N
XLogP1.75
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2-oxomorpholin-3-yl)-N-(1-methylindol-5-yl)acetamide?
The IUPAC name of 2-(4-ethyl-2-oxomorpholin-3-yl)-N-(1-methylindol-5-yl)acetamide (CID 44612078) is 2-(4-ethyl-2-oxomorpholin-3-yl)-N-(1-methylindol-5-yl)acetamide.
What is the SMILES notation for 2-(4-ethyl-2-oxomorpholin-3-yl)-N-(1-methylindol-5-yl)acetamide?
The canonical SMILES for 2-(4-ethyl-2-oxomorpholin-3-yl)-N-(1-methylindol-5-yl)acetamide is CCN1CCOC(=O)C1CC(=O)Nc1ccc2c(ccn2C)c1.
What is the InChIKey of 2-(4-ethyl-2-oxomorpholin-3-yl)-N-(1-methylindol-5-yl)acetamide?
The InChIKey is RYKSEMSKZVSTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-3-20-8-9-23-17(22)15(20)11-16(21)18-13-4-5-14-12(10-13)6-7-19(14)2/h4-7,10,15H,3,8-9,11H2,1-2H3,(H,18,21).
What are the key properties of 2-(4-ethyl-2-oxomorpholin-3-yl)-N-(1-methylindol-5-yl)acetamide?
2-(4-ethyl-2-oxomorpholin-3-yl)-N-(1-methylindol-5-yl)acetamide has a molecular weight of 315.37 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2-oxomorpholin-3-yl)-N-(1-methylindol-5-yl)acetamide is sourced from PubChem (CID 44612078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).