2-(6-methoxy-2,3-dioxoindol-1-yl)-N-prop-2-enylacetamide

C14H14N2O4 — CID 61355921

IUPAC2-(6-methoxy-2,3-dioxoindol-1-yl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1C(=O)C(=O)c2ccc(OC)cc21
InChIInChI=1S/C14H14N2O4/c1-3-6-15-12(17)8-16-11-7-9(20-2)4-5-10(11)13(18)14(16)19/h3-5,7H,1,6,8H2,2H3,(H,15,17)
InChIKeyJYYSOBQGXOSWHS-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.53
Rot. Bonds5

About 2-(6-methoxy-2,3-dioxoindol-1-yl)-N-prop-2-enylacetamide

2-(6-methoxy-2,3-dioxoindol-1-yl)-N-prop-2-enylacetamide (PubChem CID 61355921) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-(6-methoxy-2,3-dioxoindol-1-yl)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(6-methoxy-2,3-dioxoindol-1-yl)-N-prop-2-enylacetamide
PubChem CID61355921
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name2-(6-methoxy-2,3-dioxoindol-1-yl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1C(=O)C(=O)c2ccc(OC)cc21
InChIInChI=1S/C14H14N2O4/c1-3-6-15-12(17)8-16-11-7-9(20-2)4-5-10(11)13(18)14(16)19/h3-5,7H,1,6,8H2,2H3,(H,15,17)
InChIKeyJYYSOBQGXOSWHS-UHFFFAOYSA-N
XLogP0.53
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(6-methoxy-2,3-dioxoindol-1-yl)-N-prop-2-enylacetamide 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
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
N-(2-hydroxyethyl)-2-(5-methoxy-2,3-dioxoindol-1-yl)acetamide
CID 61356119
1-[2-(ethylaminomethyl)prop-2-enyl]-6-methoxyindole-2,3-dione
CID 103072132
N-butyl-2-(5-methoxy-2,3-dioxoindol-1-yl)acetamide
CID 61485568
1-butyl-6-methoxyindole-2,3-dione
CID 25194457
N-(2-cyanoethyl)-2-(5-methoxy-2,3-dioxoindol-1-yl)acetamide
CID 61355949
N-carbamoyl-2-(5-methoxy-2,3-dioxoindol-1-yl)acetamide
CID 61355136
2-(5-methoxy-2,3-dioxoindol-1-yl)-N-propan-2-ylacetamide
CID 61355137
6-methoxy-1-(5-oxohexyl)indole-2,3-dione
CID 62023099

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-2,3-dioxoindol-1-yl)-N-prop-2-enylacetamide?
The IUPAC name of 2-(6-methoxy-2,3-dioxoindol-1-yl)-N-prop-2-enylacetamide (CID 61355921) is 2-(6-methoxy-2,3-dioxoindol-1-yl)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(6-methoxy-2,3-dioxoindol-1-yl)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(6-methoxy-2,3-dioxoindol-1-yl)-N-prop-2-enylacetamide is C=CCNC(=O)CN1C(=O)C(=O)c2ccc(OC)cc21.
What is the InChIKey of 2-(6-methoxy-2,3-dioxoindol-1-yl)-N-prop-2-enylacetamide?
The InChIKey is JYYSOBQGXOSWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-3-6-15-12(17)8-16-11-7-9(20-2)4-5-10(11)13(18)14(16)19/h3-5,7H,1,6,8H2,2H3,(H,15,17).
What are the key properties of 2-(6-methoxy-2,3-dioxoindol-1-yl)-N-prop-2-enylacetamide?
2-(6-methoxy-2,3-dioxoindol-1-yl)-N-prop-2-enylacetamide has a molecular weight of 274.28 g/mol, XLogP of 0.53, 5 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-prop-2-enylacetamide is sourced from PubChem (CID 61355921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).