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

C18H16N2O3 — CID 113208438

IUPAC2-(5-methoxy-1H-indol-3-yl)-N-(2-methylphenyl)-2-oxoacetamide
SMILESCOc1ccc2[nH]cc(C(=O)C(=O)Nc3ccccc3C)c2c1
InChIInChI=1S/C18H16N2O3/c1-11-5-3-4-6-15(11)20-18(22)17(21)14-10-19-16-8-7-12(23-2)9-13(14)16/h3-10,19H,1-2H3,(H,20,22)
InChIKeyWHMIGDIRTFOHRH-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.31
Rot. Bonds4

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

2-(5-methoxy-1H-indol-3-yl)-N-(2-methylphenyl)-2-oxoacetamide (PubChem CID 113208438) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-(5-methoxy-1H-indol-3-yl)-N-(2-methylphenyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(5-methoxy-1H-indol-3-yl)-N-(2-methylphenyl)-2-oxoacetamide
PubChem CID113208438
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name2-(5-methoxy-1H-indol-3-yl)-N-(2-methylphenyl)-2-oxoacetamide
SMILESCOc1ccc2[nH]cc(C(=O)C(=O)Nc3ccccc3C)c2c1
InChIInChI=1S/C18H16N2O3/c1-11-5-3-4-6-15(11)20-18(22)17(21)14-10-19-16-8-7-12(23-2)9-13(14)16/h3-10,19H,1-2H3,(H,20,22)
InChIKeyWHMIGDIRTFOHRH-UHFFFAOYSA-N
XLogP3.31
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.31
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

N-(2-ethylphenyl)-2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide
CID 113208450
N-(2,3-dimethylphenyl)-5-methoxy-1H-indole-3-carboxamide
CID 113206047
N-(2,6-diethylphenyl)-2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide
CID 113208457
N-[1-(5-methoxy-1H-indol-3-yl)-3-(2-methylanilino)-3-oxoprop-1-en-2-yl]benzamide
CID 91969708
N-(2,4-dimethylphenyl)-5-methoxy-1H-indole-3-carboxamide
CID 113206042
N-benzyl-2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide
CID 113208378
N-(2,3-dimethylphenyl)-6-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 43832057
2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide
CID 44719462
N-(2-ethoxyphenyl)-5-methoxy-1H-indole-3-carboxamide
CID 113206077
N-[4-(diethylamino)-2-methylphenyl]-5-methoxy-1H-indole-3-carboxamide
CID 113206131
N-(2,3-dimethoxyphenyl)-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 16764740
methyl 2-[[2-(5-methoxy-1H-indol-3-yl)-2-methylpropanoyl]amino]benzoate
CID 113210255

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1H-indol-3-yl)-N-(2-methylphenyl)-2-oxoacetamide?
The IUPAC name of 2-(5-methoxy-1H-indol-3-yl)-N-(2-methylphenyl)-2-oxoacetamide (CID 113208438) is 2-(5-methoxy-1H-indol-3-yl)-N-(2-methylphenyl)-2-oxoacetamide.
What is the SMILES notation for 2-(5-methoxy-1H-indol-3-yl)-N-(2-methylphenyl)-2-oxoacetamide?
The canonical SMILES for 2-(5-methoxy-1H-indol-3-yl)-N-(2-methylphenyl)-2-oxoacetamide is COc1ccc2[nH]cc(C(=O)C(=O)Nc3ccccc3C)c2c1.
What is the InChIKey of 2-(5-methoxy-1H-indol-3-yl)-N-(2-methylphenyl)-2-oxoacetamide?
The InChIKey is WHMIGDIRTFOHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-11-5-3-4-6-15(11)20-18(22)17(21)14-10-19-16-8-7-12(23-2)9-13(14)16/h3-10,19H,1-2H3,(H,20,22).
What are the key properties of 2-(5-methoxy-1H-indol-3-yl)-N-(2-methylphenyl)-2-oxoacetamide?
2-(5-methoxy-1H-indol-3-yl)-N-(2-methylphenyl)-2-oxoacetamide has a molecular weight of 308.34 g/mol, XLogP of 3.31, 4 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)-N-(2-methylphenyl)-2-oxoacetamide is sourced from PubChem (CID 113208438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).