1-[1-(2-cyclohexylethyl)indol-3-yl]-2-(2-methoxyphenyl)ethanone

C25H29NO2 — CID 53394099

IUPAC1-[1-(2-cyclohexylethyl)indol-3-yl]-2-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1CC(=O)c1cn(CCC2CCCCC2)c2ccccc12
InChIInChI=1S/C25H29NO2/c1-28-25-14-8-5-11-20(25)17-24(27)22-18-26(23-13-7-6-12-21(22)23)16-15-19-9-3-2-4-10-19/h5-8,11-14,18-19H,2-4,9-10,15-17H2,1H3
InChIKeyBSQFBMXCQIKYNI-UHFFFAOYSA-N
MW375.51 g/mol
LogP6.05
Rot. Bonds7

About 1-[1-(2-cyclohexylethyl)indol-3-yl]-2-(2-methoxyphenyl)ethanone

1-[1-(2-cyclohexylethyl)indol-3-yl]-2-(2-methoxyphenyl)ethanone (PubChem CID 53394099) has the molecular formula C25H29NO2 and a molecular weight of 375.51 g/mol. Its IUPAC name is 1-[1-(2-cyclohexylethyl)indol-3-yl]-2-(2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[1-(2-cyclohexylethyl)indol-3-yl]-2-(2-methoxyphenyl)ethanone
PubChem CID53394099
Molecular FormulaC25H29NO2
Molecular Weight375.51 g/mol
Exact Mass375.22
IUPAC Name1-[1-(2-cyclohexylethyl)indol-3-yl]-2-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1CC(=O)c1cn(CCC2CCCCC2)c2ccccc12
InChIInChI=1S/C25H29NO2/c1-28-25-14-8-5-11-20(25)17-24(27)22-18-26(23-13-7-6-12-21(22)23)16-15-19-9-3-2-4-10-19/h5-8,11-14,18-19H,2-4,9-10,15-17H2,1H3
InChIKeyBSQFBMXCQIKYNI-UHFFFAOYSA-N
XLogP6.05
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.51
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[1-(2-cyclohexylethyl)indol-3-yl]-2-(2-methoxyphenyl)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 1-[1-(2-cyclohexylethyl)indol-3-yl]-2-(2-methoxyphenyl)ethanone?
The IUPAC name of 1-[1-(2-cyclohexylethyl)indol-3-yl]-2-(2-methoxyphenyl)ethanone (CID 53394099) is 1-[1-(2-cyclohexylethyl)indol-3-yl]-2-(2-methoxyphenyl)ethanone.
What is the SMILES notation for 1-[1-(2-cyclohexylethyl)indol-3-yl]-2-(2-methoxyphenyl)ethanone?
The canonical SMILES for 1-[1-(2-cyclohexylethyl)indol-3-yl]-2-(2-methoxyphenyl)ethanone is COc1ccccc1CC(=O)c1cn(CCC2CCCCC2)c2ccccc12.
What is the InChIKey of 1-[1-(2-cyclohexylethyl)indol-3-yl]-2-(2-methoxyphenyl)ethanone?
The InChIKey is BSQFBMXCQIKYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO2/c1-28-25-14-8-5-11-20(25)17-24(27)22-18-26(23-13-7-6-12-21(22)23)16-15-19-9-3-2-4-10-19/h5-8,11-14,18-19H,2-4,9-10,15-17H2,1H3.
What are the key properties of 1-[1-(2-cyclohexylethyl)indol-3-yl]-2-(2-methoxyphenyl)ethanone?
1-[1-(2-cyclohexylethyl)indol-3-yl]-2-(2-methoxyphenyl)ethanone has a molecular weight of 375.51 g/mol, XLogP of 6.05, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-cyclohexylethyl)indol-3-yl]-2-(2-methoxyphenyl)ethanone is sourced from PubChem (CID 53394099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).