N-(4-methoxyphenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide

C18H16N2O3 — CID 44597967

IUPACN-(4-methoxyphenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide
SMILESCOc1ccc(NC(=O)C(=O)c2cn(C)c3ccccc23)cc1
InChIInChI=1S/C18H16N2O3/c1-20-11-15(14-5-3-4-6-16(14)20)17(21)18(22)19-12-7-9-13(23-2)10-8-12/h3-11H,1-2H3,(H,19,22)
InChIKeyGKYJOCNLOJECAA-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.01
Rot. Bonds4

About N-(4-methoxyphenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide

N-(4-methoxyphenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide (PubChem CID 44597967) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide
PubChem CID44597967
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC NameN-(4-methoxyphenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide
SMILESCOc1ccc(NC(=O)C(=O)c2cn(C)c3ccccc23)cc1
InChIInChI=1S/C18H16N2O3/c1-20-11-15(14-5-3-4-6-16(14)20)17(21)18(22)19-12-7-9-13(23-2)10-8-12/h3-11H,1-2H3,(H,19,22)
InChIKeyGKYJOCNLOJECAA-UHFFFAOYSA-N
XLogP3.01
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide (CID 44597967) is N-(4-methoxyphenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide is COc1ccc(NC(=O)C(=O)c2cn(C)c3ccccc23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide?
The InChIKey is GKYJOCNLOJECAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-20-11-15(14-5-3-4-6-16(14)20)17(21)18(22)19-12-7-9-13(23-2)10-8-12/h3-11H,1-2H3,(H,19,22).
What are the key properties of N-(4-methoxyphenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide?
N-(4-methoxyphenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide has a molecular weight of 308.34 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 44597967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).