2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide

C11H10N2O3 — CID 44719462

IUPAC2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide
SMILESCOc1ccc2[nH]cc(C(=O)C(N)=O)c2c1
InChIInChI=1S/C11H10N2O3/c1-16-6-2-3-9-7(4-6)8(5-13-9)10(14)11(12)15/h2-5,13H,1H3,(H2,12,15)
InChIKeyUBBDWJMWMJTPQZ-UHFFFAOYSA-N
MW218.21 g/mol
LogP0.84
Rot. Bonds3

About 2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide

2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide (PubChem CID 44719462) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide
PubChem CID44719462
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide
SMILESCOc1ccc2[nH]cc(C(=O)C(N)=O)c2c1
InChIInChI=1S/C11H10N2O3/c1-16-6-2-3-9-7(4-6)8(5-13-9)10(14)11(12)15/h2-5,13H,1H3,(H2,12,15)
InChIKeyUBBDWJMWMJTPQZ-UHFFFAOYSA-N
XLogP0.84
TPSA85.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5-methoxy-1H-indol-3-yl)-(4-methoxyphenyl)methanone
CID 43340483
2-(5-methoxy-1H-indol-3-yl)-2-oxoacetaldehyde
CID 50901388
N,N-diethyl-5-methoxy-1H-indole-3-carboxamide
CID 91755801
5-methoxy-N,N-di(propan-2-yl)-1H-indole-3-carboxamide
CID 91757486
6-methoxy-4-oxo-1H-quinoline-3-carbonyl chloride
CID 172818183
6-methoxy-4-oxo-1H-quinoline-3-carbohydrazide
CID 95233454
1-(5-methoxy-1H-indol-3-yl)nonan-1-one
CID 65448551
4-chloro-1-(5-methoxy-1H-indol-3-yl)butan-1-one
CID 21469454
(2-bromophenyl)-(5-methoxy-1H-indol-3-yl)methanone
CID 43340488
2-(5-methoxy-1H-indol-3-yl)-N-(3-methylbutyl)-2-oxoacetamide
CID 113208428
N-benzyl-2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide
CID 113208378
2-(5-methoxy-1H-indol-3-yl)-N-(2-methylphenyl)-2-oxoacetamide
CID 113208438

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of 2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide (CID 44719462) is 2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for 2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for 2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide is COc1ccc2[nH]cc(C(=O)C(N)=O)c2c1.
What is the InChIKey of 2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is UBBDWJMWMJTPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-16-6-2-3-9-7(4-6)8(5-13-9)10(14)11(12)15/h2-5,13H,1H3,(H2,12,15).
What are the key properties of 2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide?
2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 218.21 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 44719462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).