2-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]-2-oxoacetamide

C18H16N2O3 — CID 6458080

IUPAC2-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]-2-oxoacetamide
SMILESCOc1cccc(CNC(=O)C(=O)c2c[nH]c3ccccc23)c1
InChIInChI=1S/C18H16N2O3/c1-23-13-6-4-5-12(9-13)10-20-18(22)17(21)15-11-19-16-8-3-2-7-14(15)16/h2-9,11,19H,10H2,1H3,(H,20,22)
InChIKeyWRUTXEAYYQYJHO-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.68
Rot. Bonds5

About 2-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]-2-oxoacetamide

2-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]-2-oxoacetamide (PubChem CID 6458080) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]-2-oxoacetamide
PubChem CID6458080
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name2-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]-2-oxoacetamide
SMILESCOc1cccc(CNC(=O)C(=O)c2c[nH]c3ccccc23)c1
InChIInChI=1S/C18H16N2O3/c1-23-13-6-4-5-12(9-13)10-20-18(22)17(21)15-11-19-16-8-3-2-7-14(15)16/h2-9,11,19H,10H2,1H3,(H,20,22)
InChIKeyWRUTXEAYYQYJHO-UHFFFAOYSA-N
XLogP2.68
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]-2-oxoacetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]-2-oxoacetamide (CID 6458080) is 2-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]-2-oxoacetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]-2-oxoacetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]-2-oxoacetamide is COc1cccc(CNC(=O)C(=O)c2c[nH]c3ccccc23)c1.
What is the InChIKey of 2-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]-2-oxoacetamide?
The InChIKey is WRUTXEAYYQYJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-23-13-6-4-5-12(9-13)10-20-18(22)17(21)15-11-19-16-8-3-2-7-14(15)16/h2-9,11,19H,10H2,1H3,(H,20,22).
What are the key properties of 2-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]-2-oxoacetamide?
2-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]-2-oxoacetamide has a molecular weight of 308.34 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]-2-oxoacetamide is sourced from PubChem (CID 6458080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).