2-(5-methyl-2,3-dioxoindol-1-yl)-N-pentan-3-ylacetamide

C16H20N2O3 — CID 61490183

IUPAC2-(5-methyl-2,3-dioxoindol-1-yl)-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CN1C(=O)C(=O)c2cc(C)ccc21
InChIInChI=1S/C16H20N2O3/c1-4-11(5-2)17-14(19)9-18-13-7-6-10(3)8-12(13)15(20)16(18)21/h6-8,11H,4-5,9H2,1-3H3,(H,17,19)
InChIKeyPGECYTNJVAYZLL-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.83
Rot. Bonds5

About 2-(5-methyl-2,3-dioxoindol-1-yl)-N-pentan-3-ylacetamide

2-(5-methyl-2,3-dioxoindol-1-yl)-N-pentan-3-ylacetamide (PubChem CID 61490183) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-(5-methyl-2,3-dioxoindol-1-yl)-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-(5-methyl-2,3-dioxoindol-1-yl)-N-pentan-3-ylacetamide
PubChem CID61490183
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-(5-methyl-2,3-dioxoindol-1-yl)-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CN1C(=O)C(=O)c2cc(C)ccc21
InChIInChI=1S/C16H20N2O3/c1-4-11(5-2)17-14(19)9-18-13-7-6-10(3)8-12(13)15(20)16(18)21/h6-8,11H,4-5,9H2,1-3H3,(H,17,19)
InChIKeyPGECYTNJVAYZLL-UHFFFAOYSA-N
XLogP1.83
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2,3-dioxoindol-1-yl)-N-pentan-3-ylacetamide?
The IUPAC name of 2-(5-methyl-2,3-dioxoindol-1-yl)-N-pentan-3-ylacetamide (CID 61490183) is 2-(5-methyl-2,3-dioxoindol-1-yl)-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-(5-methyl-2,3-dioxoindol-1-yl)-N-pentan-3-ylacetamide?
The canonical SMILES for 2-(5-methyl-2,3-dioxoindol-1-yl)-N-pentan-3-ylacetamide is CCC(CC)NC(=O)CN1C(=O)C(=O)c2cc(C)ccc21.
What is the InChIKey of 2-(5-methyl-2,3-dioxoindol-1-yl)-N-pentan-3-ylacetamide?
The InChIKey is PGECYTNJVAYZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-4-11(5-2)17-14(19)9-18-13-7-6-10(3)8-12(13)15(20)16(18)21/h6-8,11H,4-5,9H2,1-3H3,(H,17,19).
What are the key properties of 2-(5-methyl-2,3-dioxoindol-1-yl)-N-pentan-3-ylacetamide?
2-(5-methyl-2,3-dioxoindol-1-yl)-N-pentan-3-ylacetamide has a molecular weight of 288.35 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2,3-dioxoindol-1-yl)-N-pentan-3-ylacetamide is sourced from PubChem (CID 61490183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).