3-[2-(4-cyclopentyloxyphenyl)ethyl]-1-methyl-1-(oxan-4-yl)urea

C20H30N2O3 — CID 84585403

IUPAC3-[2-(4-cyclopentyloxyphenyl)ethyl]-1-methyl-1-(oxan-4-yl)urea
SMILESCN(C(=O)NCCc1ccc(OC2CCCC2)cc1)C1CCOCC1
InChIInChI=1S/C20H30N2O3/c1-22(17-11-14-24-15-12-17)20(23)21-13-10-16-6-8-19(9-7-16)25-18-4-2-3-5-18/h6-9,17-18H,2-5,10-15H2,1H3,(H,21,23)
InChIKeyGLJCFARKPHZHCP-UHFFFAOYSA-N
MW346.47 g/mol
LogP3.37
Rot. Bonds6

About 3-[2-(4-cyclopentyloxyphenyl)ethyl]-1-methyl-1-(oxan-4-yl)urea

3-[2-(4-cyclopentyloxyphenyl)ethyl]-1-methyl-1-(oxan-4-yl)urea (PubChem CID 84585403) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 3-[2-(4-cyclopentyloxyphenyl)ethyl]-1-methyl-1-(oxan-4-yl)urea.

Molecular Properties

Compound Name3-[2-(4-cyclopentyloxyphenyl)ethyl]-1-methyl-1-(oxan-4-yl)urea
PubChem CID84585403
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name3-[2-(4-cyclopentyloxyphenyl)ethyl]-1-methyl-1-(oxan-4-yl)urea
SMILESCN(C(=O)NCCc1ccc(OC2CCCC2)cc1)C1CCOCC1
InChIInChI=1S/C20H30N2O3/c1-22(17-11-14-24-15-12-17)20(23)21-13-10-16-6-8-19(9-7-16)25-18-4-2-3-5-18/h6-9,17-18H,2-5,10-15H2,1H3,(H,21,23)
InChIKeyGLJCFARKPHZHCP-UHFFFAOYSA-N
XLogP3.37
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[2-(4-cyclopentyloxyphenyl)ethyl]-1-methyl-1-(oxan-4-yl)urea 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 3-[2-(4-cyclopentyloxyphenyl)ethyl]-1-methyl-1-(oxan-4-yl)urea?
The IUPAC name of 3-[2-(4-cyclopentyloxyphenyl)ethyl]-1-methyl-1-(oxan-4-yl)urea (CID 84585403) is 3-[2-(4-cyclopentyloxyphenyl)ethyl]-1-methyl-1-(oxan-4-yl)urea.
What is the SMILES notation for 3-[2-(4-cyclopentyloxyphenyl)ethyl]-1-methyl-1-(oxan-4-yl)urea?
The canonical SMILES for 3-[2-(4-cyclopentyloxyphenyl)ethyl]-1-methyl-1-(oxan-4-yl)urea is CN(C(=O)NCCc1ccc(OC2CCCC2)cc1)C1CCOCC1.
What is the InChIKey of 3-[2-(4-cyclopentyloxyphenyl)ethyl]-1-methyl-1-(oxan-4-yl)urea?
The InChIKey is GLJCFARKPHZHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-22(17-11-14-24-15-12-17)20(23)21-13-10-16-6-8-19(9-7-16)25-18-4-2-3-5-18/h6-9,17-18H,2-5,10-15H2,1H3,(H,21,23).
What are the key properties of 3-[2-(4-cyclopentyloxyphenyl)ethyl]-1-methyl-1-(oxan-4-yl)urea?
3-[2-(4-cyclopentyloxyphenyl)ethyl]-1-methyl-1-(oxan-4-yl)urea has a molecular weight of 346.47 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-cyclopentyloxyphenyl)ethyl]-1-methyl-1-(oxan-4-yl)urea is sourced from PubChem (CID 84585403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).