1-(2-hydroxy-3-methoxypropyl)-1-methyl-3-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]urea

C15H21F3N2O4 — CID 86838076

IUPAC1-(2-hydroxy-3-methoxypropyl)-1-methyl-3-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]urea
SMILESCOCC(O)CN(C)C(=O)Nc1ccc(C)cc1OCC(F)(F)F
InChIInChI=1S/C15H21F3N2O4/c1-10-4-5-12(13(6-10)24-9-15(16,17)18)19-14(22)20(2)7-11(21)8-23-3/h4-6,11,21H,7-9H2,1-3H3,(H,19,22)
InChIKeyLJBUUDRKBQAADK-UHFFFAOYSA-N
MW350.34 g/mol
LogP2.41
Rot. Bonds7

About 1-(2-hydroxy-3-methoxypropyl)-1-methyl-3-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]urea

1-(2-hydroxy-3-methoxypropyl)-1-methyl-3-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]urea (PubChem CID 86838076) has the molecular formula C15H21F3N2O4 and a molecular weight of 350.34 g/mol. Its IUPAC name is 1-(2-hydroxy-3-methoxypropyl)-1-methyl-3-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]urea.

Molecular Properties

Compound Name1-(2-hydroxy-3-methoxypropyl)-1-methyl-3-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]urea
PubChem CID86838076
Molecular FormulaC15H21F3N2O4
Molecular Weight350.34 g/mol
Exact Mass350.15
IUPAC Name1-(2-hydroxy-3-methoxypropyl)-1-methyl-3-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]urea
SMILESCOCC(O)CN(C)C(=O)Nc1ccc(C)cc1OCC(F)(F)F
InChIInChI=1S/C15H21F3N2O4/c1-10-4-5-12(13(6-10)24-9-15(16,17)18)19-14(22)20(2)7-11(21)8-23-3/h4-6,11,21H,7-9H2,1-3H3,(H,19,22)
InChIKeyLJBUUDRKBQAADK-UHFFFAOYSA-N
XLogP2.41
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2-hydroxy-3-methoxypropyl)-1-methyl-3-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[4-methoxycarbonyl-2-(2,2,2-trifluoroethoxy)phenyl]carbamoyl-methylamino]-2-methylpropanoic acid
CID 122079216
2-(2-methoxyethylamino)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide;hydrochloride
CID 119746938
1-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methyl-3-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]urea
CID 166195939
3-(4-bromo-2-fluorophenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea
CID 110903881
1-cyclopropyl-1-(2-hydroxyethyl)-3-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]urea
CID 110903994
1-chloro-3-[4-methyl-2-(2,2,2-trifluoroethoxy)anilino]propan-2-ol
CID 168638588
2-cyano-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 168522088
3-(2,5-dichlorophenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea
CID 54979402
3-(2-ethoxy-4-methylphenyl)-1-(2-hydroxy-2-methylpropyl)-1-methylurea
CID 111754678
3-methoxy-4-methyl-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 60575314
4-amino-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]butanamide
CID 119302270
4-acetamido-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 60575123

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3-methoxypropyl)-1-methyl-3-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]urea?
The IUPAC name of 1-(2-hydroxy-3-methoxypropyl)-1-methyl-3-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]urea (CID 86838076) is 1-(2-hydroxy-3-methoxypropyl)-1-methyl-3-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]urea.
What is the SMILES notation for 1-(2-hydroxy-3-methoxypropyl)-1-methyl-3-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]urea?
The canonical SMILES for 1-(2-hydroxy-3-methoxypropyl)-1-methyl-3-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]urea is COCC(O)CN(C)C(=O)Nc1ccc(C)cc1OCC(F)(F)F.
What is the InChIKey of 1-(2-hydroxy-3-methoxypropyl)-1-methyl-3-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]urea?
The InChIKey is LJBUUDRKBQAADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O4/c1-10-4-5-12(13(6-10)24-9-15(16,17)18)19-14(22)20(2)7-11(21)8-23-3/h4-6,11,21H,7-9H2,1-3H3,(H,19,22).
What are the key properties of 1-(2-hydroxy-3-methoxypropyl)-1-methyl-3-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]urea?
1-(2-hydroxy-3-methoxypropyl)-1-methyl-3-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]urea has a molecular weight of 350.34 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3-methoxypropyl)-1-methyl-3-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]urea is sourced from PubChem (CID 86838076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).