2-(2-methylphenyl)-1-(1-pentylindol-3-yl)ethanone

C22H25NO — CID 11616723

IUPAC2-(2-methylphenyl)-1-(1-pentylindol-3-yl)ethanone
SMILESCCCCCn1cc(C(=O)Cc2ccccc2C)c2ccccc21
InChIInChI=1S/C22H25NO/c1-3-4-9-14-23-16-20(19-12-7-8-13-21(19)23)22(24)15-18-11-6-5-10-17(18)2/h5-8,10-13,16H,3-4,9,14-15H2,1-2H3
InChIKeyYBIPNGRKUAVSBG-UHFFFAOYSA-N
MW319.45 g/mol
LogP5.57
Rot. Bonds7

About 2-(2-methylphenyl)-1-(1-pentylindol-3-yl)ethanone

2-(2-methylphenyl)-1-(1-pentylindol-3-yl)ethanone (PubChem CID 11616723) has the molecular formula C22H25NO and a molecular weight of 319.45 g/mol. Its IUPAC name is 2-(2-methylphenyl)-1-(1-pentylindol-3-yl)ethanone.

Molecular Properties

Compound Name2-(2-methylphenyl)-1-(1-pentylindol-3-yl)ethanone
PubChem CID11616723
Molecular FormulaC22H25NO
Molecular Weight319.45 g/mol
Exact Mass319.19
IUPAC Name2-(2-methylphenyl)-1-(1-pentylindol-3-yl)ethanone
SMILESCCCCCn1cc(C(=O)Cc2ccccc2C)c2ccccc21
InChIInChI=1S/C22H25NO/c1-3-4-9-14-23-16-20(19-12-7-8-13-21(19)23)22(24)15-18-11-6-5-10-17(18)2/h5-8,10-13,16H,3-4,9,14-15H2,1-2H3
InChIKeyYBIPNGRKUAVSBG-UHFFFAOYSA-N
XLogP5.57
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.45
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2-methylphenyl)-1-(1-pentylindol-3-yl)ethanone 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 2-(2-methylphenyl)-1-(1-pentylindol-3-yl)ethanone?
The IUPAC name of 2-(2-methylphenyl)-1-(1-pentylindol-3-yl)ethanone (CID 11616723) is 2-(2-methylphenyl)-1-(1-pentylindol-3-yl)ethanone.
What is the SMILES notation for 2-(2-methylphenyl)-1-(1-pentylindol-3-yl)ethanone?
The canonical SMILES for 2-(2-methylphenyl)-1-(1-pentylindol-3-yl)ethanone is CCCCCn1cc(C(=O)Cc2ccccc2C)c2ccccc21.
What is the InChIKey of 2-(2-methylphenyl)-1-(1-pentylindol-3-yl)ethanone?
The InChIKey is YBIPNGRKUAVSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO/c1-3-4-9-14-23-16-20(19-12-7-8-13-21(19)23)22(24)15-18-11-6-5-10-17(18)2/h5-8,10-13,16H,3-4,9,14-15H2,1-2H3.
What are the key properties of 2-(2-methylphenyl)-1-(1-pentylindol-3-yl)ethanone?
2-(2-methylphenyl)-1-(1-pentylindol-3-yl)ethanone has a molecular weight of 319.45 g/mol, XLogP of 5.57, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-1-(1-pentylindol-3-yl)ethanone is sourced from PubChem (CID 11616723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).