N-benzyl-N-ethyl-2-(1-methyl-2-phenylindol-3-yl)-2-oxoacetamide

C26H24N2O2 — CID 50994134

IUPACN-benzyl-N-ethyl-2-(1-methyl-2-phenylindol-3-yl)-2-oxoacetamide
SMILESCCN(Cc1ccccc1)C(=O)C(=O)c1c(-c2ccccc2)n(C)c2ccccc12
InChIInChI=1S/C26H24N2O2/c1-3-28(18-19-12-6-4-7-13-19)26(30)25(29)23-21-16-10-11-17-22(21)27(2)24(23)20-14-8-5-9-15-20/h4-17H,3,18H2,1-2H3
InChIKeyJYVRTJFHULBGHS-UHFFFAOYSA-N
MW396.49 g/mol
LogP5.08
Rot. Bonds6

About N-benzyl-N-ethyl-2-(1-methyl-2-phenylindol-3-yl)-2-oxoacetamide

N-benzyl-N-ethyl-2-(1-methyl-2-phenylindol-3-yl)-2-oxoacetamide (PubChem CID 50994134) has the molecular formula C26H24N2O2 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2-(1-methyl-2-phenylindol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2-(1-methyl-2-phenylindol-3-yl)-2-oxoacetamide
PubChem CID50994134
Molecular FormulaC26H24N2O2
Molecular Weight396.49 g/mol
Exact Mass396.18
IUPAC NameN-benzyl-N-ethyl-2-(1-methyl-2-phenylindol-3-yl)-2-oxoacetamide
SMILESCCN(Cc1ccccc1)C(=O)C(=O)c1c(-c2ccccc2)n(C)c2ccccc12
InChIInChI=1S/C26H24N2O2/c1-3-28(18-19-12-6-4-7-13-19)26(30)25(29)23-21-16-10-11-17-22(21)27(2)24(23)20-14-8-5-9-15-20/h4-17H,3,18H2,1-2H3
InChIKeyJYVRTJFHULBGHS-UHFFFAOYSA-N
XLogP5.08
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-benzyl-N-ethyl-2-(1-methyl-2-phenylindol-3-yl)-2-oxoacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2-(1-methyl-2-phenylindol-3-yl)-2-oxoacetamide?
The IUPAC name of N-benzyl-N-ethyl-2-(1-methyl-2-phenylindol-3-yl)-2-oxoacetamide (CID 50994134) is N-benzyl-N-ethyl-2-(1-methyl-2-phenylindol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-benzyl-N-ethyl-2-(1-methyl-2-phenylindol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-benzyl-N-ethyl-2-(1-methyl-2-phenylindol-3-yl)-2-oxoacetamide is CCN(Cc1ccccc1)C(=O)C(=O)c1c(-c2ccccc2)n(C)c2ccccc12.
What is the InChIKey of N-benzyl-N-ethyl-2-(1-methyl-2-phenylindol-3-yl)-2-oxoacetamide?
The InChIKey is JYVRTJFHULBGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O2/c1-3-28(18-19-12-6-4-7-13-19)26(30)25(29)23-21-16-10-11-17-22(21)27(2)24(23)20-14-8-5-9-15-20/h4-17H,3,18H2,1-2H3.
What are the key properties of N-benzyl-N-ethyl-2-(1-methyl-2-phenylindol-3-yl)-2-oxoacetamide?
N-benzyl-N-ethyl-2-(1-methyl-2-phenylindol-3-yl)-2-oxoacetamide has a molecular weight of 396.49 g/mol, XLogP of 5.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2-(1-methyl-2-phenylindol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 50994134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).