ethyl 2-(1,3-dimethyl-2-oxoindol-3-yl)-4-oxopentanoate

C17H21NO4 — CID 23250583

IUPACethyl 2-(1,3-dimethyl-2-oxoindol-3-yl)-4-oxopentanoate
SMILESCCOC(=O)C(CC(C)=O)C1(C)C(=O)N(C)c2ccccc21
InChIInChI=1S/C17H21NO4/c1-5-22-15(20)13(10-11(2)19)17(3)12-8-6-7-9-14(12)18(4)16(17)21/h6-9,13H,5,10H2,1-4H3
InChIKeyNALBHVSYLLJARS-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.08
Rot. Bonds5

About ethyl 2-(1,3-dimethyl-2-oxoindol-3-yl)-4-oxopentanoate

ethyl 2-(1,3-dimethyl-2-oxoindol-3-yl)-4-oxopentanoate (PubChem CID 23250583) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is ethyl 2-(1,3-dimethyl-2-oxoindol-3-yl)-4-oxopentanoate.

Molecular Properties

Compound Nameethyl 2-(1,3-dimethyl-2-oxoindol-3-yl)-4-oxopentanoate
PubChem CID23250583
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Nameethyl 2-(1,3-dimethyl-2-oxoindol-3-yl)-4-oxopentanoate
SMILESCCOC(=O)C(CC(C)=O)C1(C)C(=O)N(C)c2ccccc21
InChIInChI=1S/C17H21NO4/c1-5-22-15(20)13(10-11(2)19)17(3)12-8-6-7-9-14(12)18(4)16(17)21/h6-9,13H,5,10H2,1-4H3
InChIKeyNALBHVSYLLJARS-UHFFFAOYSA-N
XLogP2.08
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(1,3-dimethyl-2-oxoindol-3-yl)-4-oxopentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1,3-dimethyl-2-oxoindol-3-yl)-4-oxopentanoate?
The IUPAC name of ethyl 2-(1,3-dimethyl-2-oxoindol-3-yl)-4-oxopentanoate (CID 23250583) is ethyl 2-(1,3-dimethyl-2-oxoindol-3-yl)-4-oxopentanoate.
What is the SMILES notation for ethyl 2-(1,3-dimethyl-2-oxoindol-3-yl)-4-oxopentanoate?
The canonical SMILES for ethyl 2-(1,3-dimethyl-2-oxoindol-3-yl)-4-oxopentanoate is CCOC(=O)C(CC(C)=O)C1(C)C(=O)N(C)c2ccccc21.
What is the InChIKey of ethyl 2-(1,3-dimethyl-2-oxoindol-3-yl)-4-oxopentanoate?
The InChIKey is NALBHVSYLLJARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c1-5-22-15(20)13(10-11(2)19)17(3)12-8-6-7-9-14(12)18(4)16(17)21/h6-9,13H,5,10H2,1-4H3.
What are the key properties of ethyl 2-(1,3-dimethyl-2-oxoindol-3-yl)-4-oxopentanoate?
ethyl 2-(1,3-dimethyl-2-oxoindol-3-yl)-4-oxopentanoate has a molecular weight of 303.36 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,3-dimethyl-2-oxoindol-3-yl)-4-oxopentanoate is sourced from PubChem (CID 23250583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).