1-[1-(oxan-4-yl)ethyl]-3-[3-(trifluoromethyl)cyclohexyl]urea

C15H25F3N2O2 — CID 71917552

IUPAC1-[1-(oxan-4-yl)ethyl]-3-[3-(trifluoromethyl)cyclohexyl]urea
SMILESCC(NC(=O)NC1CCCC(C(F)(F)F)C1)C1CCOCC1
InChIInChI=1S/C15H25F3N2O2/c1-10(11-5-7-22-8-6-11)19-14(21)20-13-4-2-3-12(9-13)15(16,17)18/h10-13H,2-9H2,1H3,(H2,19,20,21)
InChIKeyHBAPXKDIPMBQQM-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.22
Rot. Bonds3

About 1-[1-(oxan-4-yl)ethyl]-3-[3-(trifluoromethyl)cyclohexyl]urea

1-[1-(oxan-4-yl)ethyl]-3-[3-(trifluoromethyl)cyclohexyl]urea (PubChem CID 71917552) has the molecular formula C15H25F3N2O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 1-[1-(oxan-4-yl)ethyl]-3-[3-(trifluoromethyl)cyclohexyl]urea.

Molecular Properties

Compound Name1-[1-(oxan-4-yl)ethyl]-3-[3-(trifluoromethyl)cyclohexyl]urea
PubChem CID71917552
Molecular FormulaC15H25F3N2O2
Molecular Weight322.37 g/mol
Exact Mass322.19
IUPAC Name1-[1-(oxan-4-yl)ethyl]-3-[3-(trifluoromethyl)cyclohexyl]urea
SMILESCC(NC(=O)NC1CCCC(C(F)(F)F)C1)C1CCOCC1
InChIInChI=1S/C15H25F3N2O2/c1-10(11-5-7-22-8-6-11)19-14(21)20-13-4-2-3-12(9-13)15(16,17)18/h10-13H,2-9H2,1H3,(H2,19,20,21)
InChIKeyHBAPXKDIPMBQQM-UHFFFAOYSA-N
XLogP3.22
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[1-(oxan-4-yl)ethyl]-3-[3-(trifluoromethyl)cyclohexyl]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 1-[1-(oxan-4-yl)ethyl]-3-[3-(trifluoromethyl)cyclohexyl]urea?
The IUPAC name of 1-[1-(oxan-4-yl)ethyl]-3-[3-(trifluoromethyl)cyclohexyl]urea (CID 71917552) is 1-[1-(oxan-4-yl)ethyl]-3-[3-(trifluoromethyl)cyclohexyl]urea.
What is the SMILES notation for 1-[1-(oxan-4-yl)ethyl]-3-[3-(trifluoromethyl)cyclohexyl]urea?
The canonical SMILES for 1-[1-(oxan-4-yl)ethyl]-3-[3-(trifluoromethyl)cyclohexyl]urea is CC(NC(=O)NC1CCCC(C(F)(F)F)C1)C1CCOCC1.
What is the InChIKey of 1-[1-(oxan-4-yl)ethyl]-3-[3-(trifluoromethyl)cyclohexyl]urea?
The InChIKey is HBAPXKDIPMBQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N2O2/c1-10(11-5-7-22-8-6-11)19-14(21)20-13-4-2-3-12(9-13)15(16,17)18/h10-13H,2-9H2,1H3,(H2,19,20,21).
What are the key properties of 1-[1-(oxan-4-yl)ethyl]-3-[3-(trifluoromethyl)cyclohexyl]urea?
1-[1-(oxan-4-yl)ethyl]-3-[3-(trifluoromethyl)cyclohexyl]urea has a molecular weight of 322.37 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(oxan-4-yl)ethyl]-3-[3-(trifluoromethyl)cyclohexyl]urea is sourced from PubChem (CID 71917552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).