2-(5-methoxy-2,3-dioxoindol-1-yl)-N-propan-2-ylacetamide

C14H16N2O4 — CID 61355137

IUPAC2-(5-methoxy-2,3-dioxoindol-1-yl)-N-propan-2-ylacetamide
SMILESCOc1ccc2c(c1)C(=O)C(=O)N2CC(=O)NC(C)C
InChIInChI=1S/C14H16N2O4/c1-8(2)15-12(17)7-16-11-5-4-9(20-3)6-10(11)13(18)14(16)19/h4-6,8H,7H2,1-3H3,(H,15,17)
InChIKeyCNKVXYZYEJQGNQ-UHFFFAOYSA-N
MW276.29 g/mol
LogP0.75
Rot. Bonds4

About 2-(5-methoxy-2,3-dioxoindol-1-yl)-N-propan-2-ylacetamide

2-(5-methoxy-2,3-dioxoindol-1-yl)-N-propan-2-ylacetamide (PubChem CID 61355137) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 2-(5-methoxy-2,3-dioxoindol-1-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(5-methoxy-2,3-dioxoindol-1-yl)-N-propan-2-ylacetamide
PubChem CID61355137
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name2-(5-methoxy-2,3-dioxoindol-1-yl)-N-propan-2-ylacetamide
SMILESCOc1ccc2c(c1)C(=O)C(=O)N2CC(=O)NC(C)C
InChIInChI=1S/C14H16N2O4/c1-8(2)15-12(17)7-16-11-5-4-9(20-3)6-10(11)13(18)14(16)19/h4-6,8H,7H2,1-3H3,(H,15,17)
InChIKeyCNKVXYZYEJQGNQ-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'}

Analyze 2-(5-methoxy-2,3-dioxoindol-1-yl)-N-propan-2-ylacetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(6-methoxy-2,3-dioxoindol-1-yl)-N-propan-2-ylacetamide
CID 61357088
N-carbamoyl-2-(5-methoxy-2,3-dioxoindol-1-yl)acetamide
CID 61355136
N-(2-hydroxyethyl)-2-(5-methoxy-2,3-dioxoindol-1-yl)acetamide
CID 61356119
N-butyl-2-(5-methoxy-2,3-dioxoindol-1-yl)acetamide
CID 61485568
5-methoxy-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]indole-2,3-dione
CID 103072193
1-(3,3-dimethyl-2-oxobutyl)-5-methoxyindole-2,3-dione
CID 62023855
N-(2-cyanoethyl)-2-(5-methoxy-2,3-dioxoindol-1-yl)acetamide
CID 61355949
ethyl 2-(5-methoxy-2,3-dioxoindol-1-yl)acetate
CID 61354804
5-methoxy-1-(methoxymethyl)indole-2,3-dione
CID 129354242
2-(5-bromo-2,3-dioxoindol-1-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 61487892
1-heptyl-5-methoxyindole-2,3-dione
CID 61354808
1-[2-(furan-2-yl)-2-oxoethyl]-5-methoxyindole-2,3-dione
CID 62023854

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-2,3-dioxoindol-1-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(5-methoxy-2,3-dioxoindol-1-yl)-N-propan-2-ylacetamide (CID 61355137) is 2-(5-methoxy-2,3-dioxoindol-1-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(5-methoxy-2,3-dioxoindol-1-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(5-methoxy-2,3-dioxoindol-1-yl)-N-propan-2-ylacetamide is COc1ccc2c(c1)C(=O)C(=O)N2CC(=O)NC(C)C.
What is the InChIKey of 2-(5-methoxy-2,3-dioxoindol-1-yl)-N-propan-2-ylacetamide?
The InChIKey is CNKVXYZYEJQGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-8(2)15-12(17)7-16-11-5-4-9(20-3)6-10(11)13(18)14(16)19/h4-6,8H,7H2,1-3H3,(H,15,17).
What are the key properties of 2-(5-methoxy-2,3-dioxoindol-1-yl)-N-propan-2-ylacetamide?
2-(5-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-(5-methoxy-2,3-dioxoindol-1-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 61355137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).