N-carbamoyl-2-(5-methoxy-2,3-dioxoindol-1-yl)acetamide

C12H11N3O5 — CID 61355136

IUPACN-carbamoyl-2-(5-methoxy-2,3-dioxoindol-1-yl)acetamide
SMILESCOc1ccc2c(c1)C(=O)C(=O)N2CC(=O)NC(N)=O
InChIInChI=1S/C12H11N3O5/c1-20-6-2-3-8-7(4-6)10(17)11(18)15(8)5-9(16)14-12(13)19/h2-4H,5H2,1H3,(H3,13,14,16,19)
InChIKeyKRLOXFUMQWGEHV-UHFFFAOYSA-N
MW277.24 g/mol
LogP-0.58
Rot. Bonds3

About N-carbamoyl-2-(5-methoxy-2,3-dioxoindol-1-yl)acetamide

N-carbamoyl-2-(5-methoxy-2,3-dioxoindol-1-yl)acetamide (PubChem CID 61355136) has the molecular formula C12H11N3O5 and a molecular weight of 277.24 g/mol. Its IUPAC name is N-carbamoyl-2-(5-methoxy-2,3-dioxoindol-1-yl)acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-(5-methoxy-2,3-dioxoindol-1-yl)acetamide
PubChem CID61355136
Molecular FormulaC12H11N3O5
Molecular Weight277.24 g/mol
Exact Mass277.07
IUPAC NameN-carbamoyl-2-(5-methoxy-2,3-dioxoindol-1-yl)acetamide
SMILESCOc1ccc2c(c1)C(=O)C(=O)N2CC(=O)NC(N)=O
InChIInChI=1S/C12H11N3O5/c1-20-6-2-3-8-7(4-6)10(17)11(18)15(8)5-9(16)14-12(13)19/h2-4H,5H2,1H3,(H3,13,14,16,19)
InChIKeyKRLOXFUMQWGEHV-UHFFFAOYSA-N
XLogP-0.58
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-carbamoyl-2-(5-methoxy-2,3-dioxoindol-1-yl)acetamide 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-(5-methoxy-2,3-dioxoindol-1-yl)-N-propan-2-ylacetamide
CID 61355137
ethyl 2-(5-methoxy-2,3-dioxoindol-1-yl)acetate
CID 61354804
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
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
5-methoxy-1-(methoxymethyl)indole-2,3-dione
CID 129354242
1-heptyl-5-methoxyindole-2,3-dione
CID 61354808
2-(6-methoxy-2,3-dioxoindol-1-yl)-N-propan-2-ylacetamide
CID 61357088
5-methoxy-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]indole-2,3-dione
CID 103072193
1-[2-(furan-2-yl)-2-oxoethyl]-5-methoxyindole-2,3-dione
CID 62023854
trifluoro-[(5-methoxy-2,3-dioxoindol-1-yl)methyl]boranuide
CID 63702848

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-(5-methoxy-2,3-dioxoindol-1-yl)acetamide?
The IUPAC name of N-carbamoyl-2-(5-methoxy-2,3-dioxoindol-1-yl)acetamide (CID 61355136) is N-carbamoyl-2-(5-methoxy-2,3-dioxoindol-1-yl)acetamide.
What is the SMILES notation for N-carbamoyl-2-(5-methoxy-2,3-dioxoindol-1-yl)acetamide?
The canonical SMILES for N-carbamoyl-2-(5-methoxy-2,3-dioxoindol-1-yl)acetamide is COc1ccc2c(c1)C(=O)C(=O)N2CC(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-(5-methoxy-2,3-dioxoindol-1-yl)acetamide?
The InChIKey is KRLOXFUMQWGEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O5/c1-20-6-2-3-8-7(4-6)10(17)11(18)15(8)5-9(16)14-12(13)19/h2-4H,5H2,1H3,(H3,13,14,16,19).
What are the key properties of N-carbamoyl-2-(5-methoxy-2,3-dioxoindol-1-yl)acetamide?
N-carbamoyl-2-(5-methoxy-2,3-dioxoindol-1-yl)acetamide has a molecular weight of 277.24 g/mol, XLogP of -0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-(5-methoxy-2,3-dioxoindol-1-yl)acetamide is sourced from PubChem (CID 61355136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).