N-benzyl-2-(1-methylindol-3-yl)-2-oxoacetamide

C18H16N2O2 — CID 2227306

IUPACN-benzyl-2-(1-methylindol-3-yl)-2-oxoacetamide
SMILESCn1cc(C(=O)C(=O)NCc2ccccc2)c2ccccc21
InChIInChI=1S/C18H16N2O2/c1-20-12-15(14-9-5-6-10-16(14)20)17(21)18(22)19-11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H,19,22)
InChIKeyYEUTZSFSBYTCJL-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.68
Rot. Bonds4

About N-benzyl-2-(1-methylindol-3-yl)-2-oxoacetamide

N-benzyl-2-(1-methylindol-3-yl)-2-oxoacetamide (PubChem CID 2227306) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is N-benzyl-2-(1-methylindol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-benzyl-2-(1-methylindol-3-yl)-2-oxoacetamide
PubChem CID2227306
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC NameN-benzyl-2-(1-methylindol-3-yl)-2-oxoacetamide
SMILESCn1cc(C(=O)C(=O)NCc2ccccc2)c2ccccc21
InChIInChI=1S/C18H16N2O2/c1-20-12-15(14-9-5-6-10-16(14)20)17(21)18(22)19-11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H,19,22)
InChIKeyYEUTZSFSBYTCJL-UHFFFAOYSA-N
XLogP2.68
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
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 N-benzyl-2-(1-methylindol-3-yl)-2-oxoacetamide?
The IUPAC name of N-benzyl-2-(1-methylindol-3-yl)-2-oxoacetamide (CID 2227306) is N-benzyl-2-(1-methylindol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-benzyl-2-(1-methylindol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-benzyl-2-(1-methylindol-3-yl)-2-oxoacetamide is Cn1cc(C(=O)C(=O)NCc2ccccc2)c2ccccc21.
What is the InChIKey of N-benzyl-2-(1-methylindol-3-yl)-2-oxoacetamide?
The InChIKey is YEUTZSFSBYTCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-20-12-15(14-9-5-6-10-16(14)20)17(21)18(22)19-11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H,19,22).
What are the key properties of N-benzyl-2-(1-methylindol-3-yl)-2-oxoacetamide?
N-benzyl-2-(1-methylindol-3-yl)-2-oxoacetamide has a molecular weight of 292.34 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(1-methylindol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 2227306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).