3-(2-methoxyethyl)-1-(oxan-4-yl)-1-(2,2,2-trifluoroethyl)urea

C11H19F3N2O3 — CID 90554860

IUPAC3-(2-methoxyethyl)-1-(oxan-4-yl)-1-(2,2,2-trifluoroethyl)urea
SMILESCOCCNC(=O)N(CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C11H19F3N2O3/c1-18-7-4-15-10(17)16(8-11(12,13)14)9-2-5-19-6-3-9/h9H,2-8H2,1H3,(H,15,17)
InChIKeyWBSOGGWIGACBSP-UHFFFAOYSA-N
MW284.28 g/mol
LogP1.39
Rot. Bonds5

About 3-(2-methoxyethyl)-1-(oxan-4-yl)-1-(2,2,2-trifluoroethyl)urea

3-(2-methoxyethyl)-1-(oxan-4-yl)-1-(2,2,2-trifluoroethyl)urea (PubChem CID 90554860) has the molecular formula C11H19F3N2O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-1-(oxan-4-yl)-1-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name3-(2-methoxyethyl)-1-(oxan-4-yl)-1-(2,2,2-trifluoroethyl)urea
PubChem CID90554860
Molecular FormulaC11H19F3N2O3
Molecular Weight284.28 g/mol
Exact Mass284.13
IUPAC Name3-(2-methoxyethyl)-1-(oxan-4-yl)-1-(2,2,2-trifluoroethyl)urea
SMILESCOCCNC(=O)N(CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C11H19F3N2O3/c1-18-7-4-15-10(17)16(8-11(12,13)14)9-2-5-19-6-3-9/h9H,2-8H2,1H3,(H,15,17)
InChIKeyWBSOGGWIGACBSP-UHFFFAOYSA-N
XLogP1.39
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(pentan-2-yl)morpholine-4-carboxamide
CID 3137306
N-(pentan-3-yl)morpholine-4-carboxamide
CID 787327
4,4-difluoro-N-(tetrahydro-2H-pyran-4-yl)piperidine-1-carboxamide
CID 121184665
N-(oxan-3-yl)-3-(trifluoromethoxy)pyrrolidine-1-carboxamide
CID 142539991
ethane;N-(2-methylpropyl)-3-(trifluoromethyl)morpholine-4-carboxamide
CID 164555235
N-(2-methylpropyl)-3-(trifluoromethyl)morpholine-4-carboxamide
CID 164555236
(3R)-N-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethyl)morpholine-4-carboxamide
CID 167135162
(3S)-N-propan-2-yl-3-(trifluoromethyl)morpholine-4-carboxamide
CID 167135163
(3S)-N-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethyl)morpholine-4-carboxamide
CID 167135206
(3R)-N-propan-2-yl-3-(trifluoromethyl)morpholine-4-carboxamide
CID 167135216
1-[1-(2,2-Difluoroethyl)piperidin-4-yl]-3-(2-methoxyethyl)urea
CID 60605165
4-[2-(2,2,2-Trifluoroethoxy)ethylamino]piperidine-1-carboxamide
CID 63827119

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-1-(oxan-4-yl)-1-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 3-(2-methoxyethyl)-1-(oxan-4-yl)-1-(2,2,2-trifluoroethyl)urea (CID 90554860) is 3-(2-methoxyethyl)-1-(oxan-4-yl)-1-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 3-(2-methoxyethyl)-1-(oxan-4-yl)-1-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 3-(2-methoxyethyl)-1-(oxan-4-yl)-1-(2,2,2-trifluoroethyl)urea is COCCNC(=O)N(CC(F)(F)F)C1CCOCC1.
What is the InChIKey of 3-(2-methoxyethyl)-1-(oxan-4-yl)-1-(2,2,2-trifluoroethyl)urea?
The InChIKey is WBSOGGWIGACBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O3/c1-18-7-4-15-10(17)16(8-11(12,13)14)9-2-5-19-6-3-9/h9H,2-8H2,1H3,(H,15,17).
What are the key properties of 3-(2-methoxyethyl)-1-(oxan-4-yl)-1-(2,2,2-trifluoroethyl)urea?
3-(2-methoxyethyl)-1-(oxan-4-yl)-1-(2,2,2-trifluoroethyl)urea has a molecular weight of 284.28 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-1-(oxan-4-yl)-1-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 90554860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).