2-(6-methoxy-2,3-dioxoindol-1-yl)-N-propan-2-ylacetamide

C14H16N2O4 — CID 61357088

IUPAC2-(6-methoxy-2,3-dioxoindol-1-yl)-N-propan-2-ylacetamide
SMILESCOc1ccc2c(c1)N(CC(=O)NC(C)C)C(=O)C2=O
InChIInChI=1S/C14H16N2O4/c1-8(2)15-12(17)7-16-11-6-9(20-3)4-5-10(11)13(18)14(16)19/h4-6,8H,7H2,1-3H3,(H,15,17)
InChIKeyOARNEJCAJLPPMG-UHFFFAOYSA-N
MW276.29 g/mol
LogP0.75
Rot. Bonds4

About 2-(6-methoxy-2,3-dioxoindol-1-yl)-N-propan-2-ylacetamide

2-(6-methoxy-2,3-dioxoindol-1-yl)-N-propan-2-ylacetamide (PubChem CID 61357088) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 2-(6-methoxy-2,3-dioxoindol-1-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(6-methoxy-2,3-dioxoindol-1-yl)-N-propan-2-ylacetamide
PubChem CID61357088
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name2-(6-methoxy-2,3-dioxoindol-1-yl)-N-propan-2-ylacetamide
SMILESCOc1ccc2c(c1)N(CC(=O)NC(C)C)C(=O)C2=O
InChIInChI=1S/C14H16N2O4/c1-8(2)15-12(17)7-16-11-6-9(20-3)4-5-10(11)13(18)14(16)19/h4-6,8H,7H2,1-3H3,(H,15,17)
InChIKeyOARNEJCAJLPPMG-UHFFFAOYSA-N
XLogP0.75
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(5-methoxy-2,3-dioxoindol-1-yl)-N-propan-2-ylacetamide
CID 61355137
2-(6-methoxy-2,3-dioxoindol-1-yl)-N-prop-2-enylacetamide
CID 61355921
6-methoxy-1-(2-methylprop-2-enyl)indole-2,3-dione
CID 61356415
1-[2-(chloromethyl)prop-2-enyl]-6-methoxyindole-2,3-dione
CID 103065739
1-[(E)-3-chloro-2-methylprop-2-enyl]-6-methoxyindole-2,3-dione
CID 106438767
2-(6-fluoro-2,3-dioxoindol-1-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 61487935
1-butyl-6-methoxyindole-2,3-dione
CID 25194457
1-[2-(ethylaminomethyl)prop-2-enyl]-6-methoxyindole-2,3-dione
CID 103072132
N-carbamoyl-2-(5-methoxy-2,3-dioxoindol-1-yl)acetamide
CID 61355136
6-methoxy-1-(5-oxohexyl)indole-2,3-dione
CID 62023099
1-[[bis(2-methylpropyl)amino]methyl]-6-methoxyindole-2,3-dione
CID 52579710
1-(2-fluoroethyl)-6-methoxyindole-2,3-dione
CID 80695416

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-2,3-dioxoindol-1-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(6-methoxy-2,3-dioxoindol-1-yl)-N-propan-2-ylacetamide (CID 61357088) is 2-(6-methoxy-2,3-dioxoindol-1-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(6-methoxy-2,3-dioxoindol-1-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(6-methoxy-2,3-dioxoindol-1-yl)-N-propan-2-ylacetamide is COc1ccc2c(c1)N(CC(=O)NC(C)C)C(=O)C2=O.
What is the InChIKey of 2-(6-methoxy-2,3-dioxoindol-1-yl)-N-propan-2-ylacetamide?
The InChIKey is OARNEJCAJLPPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-8(2)15-12(17)7-16-11-6-9(20-3)4-5-10(11)13(18)14(16)19/h4-6,8H,7H2,1-3H3,(H,15,17).
What are the key properties of 2-(6-methoxy-2,3-dioxoindol-1-yl)-N-propan-2-ylacetamide?
2-(6-methoxy-2,3-dioxoindol-1-yl)-N-propan-2-ylacetamide has a molecular weight of 276.29 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-2,3-dioxoindol-1-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 61357088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).