2-(1-ethylcyclopentyl)-1-[4-[2-(pyridin-2-ylamino)ethoxy]phenyl]ethanone

C22H28N2O2 — CID 22978366

IUPAC2-(1-ethylcyclopentyl)-1-[4-[2-(pyridin-2-ylamino)ethoxy]phenyl]ethanone
SMILESCCC1(CC(=O)c2ccc(OCCNc3ccccn3)cc2)CCCC1
InChIInChI=1S/C22H28N2O2/c1-2-22(12-4-5-13-22)17-20(25)18-8-10-19(11-9-18)26-16-15-24-21-7-3-6-14-23-21/h3,6-11,14H,2,4-5,12-13,15-17H2,1H3,(H,23,24)
InChIKeyWUCRUGBFBWBUJO-UHFFFAOYSA-N
MW352.48 g/mol
LogP5.12
Rot. Bonds9

About 2-(1-ethylcyclopentyl)-1-[4-[2-(pyridin-2-ylamino)ethoxy]phenyl]ethanone

2-(1-ethylcyclopentyl)-1-[4-[2-(pyridin-2-ylamino)ethoxy]phenyl]ethanone (PubChem CID 22978366) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-(1-ethylcyclopentyl)-1-[4-[2-(pyridin-2-ylamino)ethoxy]phenyl]ethanone.

Molecular Properties

Compound Name2-(1-ethylcyclopentyl)-1-[4-[2-(pyridin-2-ylamino)ethoxy]phenyl]ethanone
PubChem CID22978366
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name2-(1-ethylcyclopentyl)-1-[4-[2-(pyridin-2-ylamino)ethoxy]phenyl]ethanone
SMILESCCC1(CC(=O)c2ccc(OCCNc3ccccn3)cc2)CCCC1
InChIInChI=1S/C22H28N2O2/c1-2-22(12-4-5-13-22)17-20(25)18-8-10-19(11-9-18)26-16-15-24-21-7-3-6-14-23-21/h3,6-11,14H,2,4-5,12-13,15-17H2,1H3,(H,23,24)
InChIKeyWUCRUGBFBWBUJO-UHFFFAOYSA-N
XLogP5.12
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.48
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(1-ethylcyclopentyl)-1-[4-[2-(pyridin-2-ylamino)ethoxy]phenyl]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-(1-ethylcyclopentyl)-1-[4-[2-(pyridin-2-ylamino)ethoxy]phenyl]ethanone?
The IUPAC name of 2-(1-ethylcyclopentyl)-1-[4-[2-(pyridin-2-ylamino)ethoxy]phenyl]ethanone (CID 22978366) is 2-(1-ethylcyclopentyl)-1-[4-[2-(pyridin-2-ylamino)ethoxy]phenyl]ethanone.
What is the SMILES notation for 2-(1-ethylcyclopentyl)-1-[4-[2-(pyridin-2-ylamino)ethoxy]phenyl]ethanone?
The canonical SMILES for 2-(1-ethylcyclopentyl)-1-[4-[2-(pyridin-2-ylamino)ethoxy]phenyl]ethanone is CCC1(CC(=O)c2ccc(OCCNc3ccccn3)cc2)CCCC1.
What is the InChIKey of 2-(1-ethylcyclopentyl)-1-[4-[2-(pyridin-2-ylamino)ethoxy]phenyl]ethanone?
The InChIKey is WUCRUGBFBWBUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-2-22(12-4-5-13-22)17-20(25)18-8-10-19(11-9-18)26-16-15-24-21-7-3-6-14-23-21/h3,6-11,14H,2,4-5,12-13,15-17H2,1H3,(H,23,24).
What are the key properties of 2-(1-ethylcyclopentyl)-1-[4-[2-(pyridin-2-ylamino)ethoxy]phenyl]ethanone?
2-(1-ethylcyclopentyl)-1-[4-[2-(pyridin-2-ylamino)ethoxy]phenyl]ethanone has a molecular weight of 352.48 g/mol, XLogP of 5.12, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylcyclopentyl)-1-[4-[2-(pyridin-2-ylamino)ethoxy]phenyl]ethanone is sourced from PubChem (CID 22978366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).