1-(2-methyl-2-morpholin-4-ylpropyl)-3-[3-(trifluoromethyl)cyclohexyl]urea

C16H28F3N3O2 — CID 55597364

IUPAC1-(2-methyl-2-morpholin-4-ylpropyl)-3-[3-(trifluoromethyl)cyclohexyl]urea
SMILESCC(C)(CNC(=O)NC1CCCC(C(F)(F)F)C1)N1CCOCC1
InChIInChI=1S/C16H28F3N3O2/c1-15(2,22-6-8-24-9-7-22)11-20-14(23)21-13-5-3-4-12(10-13)16(17,18)19/h12-13H,3-11H2,1-2H3,(H2,20,21,23)
InChIKeyMISJTUYFAAHMIR-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.52
Rot. Bonds4

About 1-(2-methyl-2-morpholin-4-ylpropyl)-3-[3-(trifluoromethyl)cyclohexyl]urea

1-(2-methyl-2-morpholin-4-ylpropyl)-3-[3-(trifluoromethyl)cyclohexyl]urea (PubChem CID 55597364) has the molecular formula C16H28F3N3O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 1-(2-methyl-2-morpholin-4-ylpropyl)-3-[3-(trifluoromethyl)cyclohexyl]urea.

Molecular Properties

Compound Name1-(2-methyl-2-morpholin-4-ylpropyl)-3-[3-(trifluoromethyl)cyclohexyl]urea
PubChem CID55597364
Molecular FormulaC16H28F3N3O2
Molecular Weight351.41 g/mol
Exact Mass351.21
IUPAC Name1-(2-methyl-2-morpholin-4-ylpropyl)-3-[3-(trifluoromethyl)cyclohexyl]urea
SMILESCC(C)(CNC(=O)NC1CCCC(C(F)(F)F)C1)N1CCOCC1
InChIInChI=1S/C16H28F3N3O2/c1-15(2,22-6-8-24-9-7-22)11-20-14(23)21-13-5-3-4-12(10-13)16(17,18)19/h12-13H,3-11H2,1-2H3,(H2,20,21,23)
InChIKeyMISJTUYFAAHMIR-UHFFFAOYSA-N
XLogP2.52
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2-morpholin-4-ylpropyl)-3-[3-(trifluoromethyl)cyclohexyl]urea?
The IUPAC name of 1-(2-methyl-2-morpholin-4-ylpropyl)-3-[3-(trifluoromethyl)cyclohexyl]urea (CID 55597364) is 1-(2-methyl-2-morpholin-4-ylpropyl)-3-[3-(trifluoromethyl)cyclohexyl]urea.
What is the SMILES notation for 1-(2-methyl-2-morpholin-4-ylpropyl)-3-[3-(trifluoromethyl)cyclohexyl]urea?
The canonical SMILES for 1-(2-methyl-2-morpholin-4-ylpropyl)-3-[3-(trifluoromethyl)cyclohexyl]urea is CC(C)(CNC(=O)NC1CCCC(C(F)(F)F)C1)N1CCOCC1.
What is the InChIKey of 1-(2-methyl-2-morpholin-4-ylpropyl)-3-[3-(trifluoromethyl)cyclohexyl]urea?
The InChIKey is MISJTUYFAAHMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F3N3O2/c1-15(2,22-6-8-24-9-7-22)11-20-14(23)21-13-5-3-4-12(10-13)16(17,18)19/h12-13H,3-11H2,1-2H3,(H2,20,21,23).
What are the key properties of 1-(2-methyl-2-morpholin-4-ylpropyl)-3-[3-(trifluoromethyl)cyclohexyl]urea?
1-(2-methyl-2-morpholin-4-ylpropyl)-3-[3-(trifluoromethyl)cyclohexyl]urea has a molecular weight of 351.41 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2-morpholin-4-ylpropyl)-3-[3-(trifluoromethyl)cyclohexyl]urea is sourced from PubChem (CID 55597364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).