1-methyl-3-[2-[(2R)-oxan-2-yl]ethyl]-1-[[4-(trifluoromethyl)phenyl]methyl]urea

C17H23F3N2O2 — CID 124615784

IUPAC1-methyl-3-[2-[(2R)-oxan-2-yl]ethyl]-1-[[4-(trifluoromethyl)phenyl]methyl]urea
SMILESCN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCC[C@H]1CCCCO1
InChIInChI=1S/C17H23F3N2O2/c1-22(12-13-5-7-14(8-6-13)17(18,19)20)16(23)21-10-9-15-4-2-3-11-24-15/h5-8,15H,2-4,9-12H2,1H3,(H,21,23)/t15-/m1/s1
InChIKeyXLYVMYBTTVBVGO-OAHLLOKOSA-N
MW344.38 g/mol
LogP3.81
Rot. Bonds5

About 1-methyl-3-[2-[(2R)-oxan-2-yl]ethyl]-1-[[4-(trifluoromethyl)phenyl]methyl]urea

1-methyl-3-[2-[(2R)-oxan-2-yl]ethyl]-1-[[4-(trifluoromethyl)phenyl]methyl]urea (PubChem CID 124615784) has the molecular formula C17H23F3N2O2 and a molecular weight of 344.38 g/mol. Its IUPAC name is 1-methyl-3-[2-[(2R)-oxan-2-yl]ethyl]-1-[[4-(trifluoromethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-methyl-3-[2-[(2R)-oxan-2-yl]ethyl]-1-[[4-(trifluoromethyl)phenyl]methyl]urea
PubChem CID124615784
Molecular FormulaC17H23F3N2O2
Molecular Weight344.38 g/mol
Exact Mass344.17
IUPAC Name1-methyl-3-[2-[(2R)-oxan-2-yl]ethyl]-1-[[4-(trifluoromethyl)phenyl]methyl]urea
SMILESCN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCC[C@H]1CCCCO1
InChIInChI=1S/C17H23F3N2O2/c1-22(12-13-5-7-14(8-6-13)17(18,19)20)16(23)21-10-9-15-4-2-3-11-24-15/h5-8,15H,2-4,9-12H2,1H3,(H,21,23)/t15-/m1/s1
InChIKeyXLYVMYBTTVBVGO-OAHLLOKOSA-N
XLogP3.81
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-methyl-3-[2-[(2R)-oxan-2-yl]ethyl]-1-[[4-(trifluoromethyl)phenyl]methyl]urea with MolForge

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Related Compounds

1-[(4-fluorophenyl)methyl]-1-(2-hydroxyethyl)-3-[2-[(2S)-oxan-2-yl]ethyl]urea
CID 126442561
3-[[benzyl(methyl)carbamoyl]amino]-N-methyl-N-[[(2S)-oxan-2-yl]methyl]propanamide
CID 96998499
1-[(4-ethylphenyl)methyl]-1,2-dimethyl-3-[2-(oxolan-2-yl)ethyl]guanidine
CID 111282873
1-ethyl-3-[2-(oxolan-2-yl)ethyl]-2-[[4-(trifluoromethyl)phenyl]methyl]guanidine;hydroiodide
CID 111420688
4-[2-(oxan-2-yl)ethylcarbamoyl]benzoic acid
CID 106704122
1-[(4-fluorophenyl)methyl]-1-methyl-3-[4-(oxolan-2-yl)butan-2-yl]urea
CID 60613955
3-[2-(4-chlorophenyl)ethyl]-1-methyl-1-(oxan-2-ylmethyl)urea
CID 86826801
2-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanone
CID 55116317
1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[2-[(2S)-oxolan-2-yl]ethyl]urea
CID 97242721
2-(oxan-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 110423473
4-amino-N-[2-(oxan-2-yl)ethyl]benzamide
CID 83633238
3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-3-oxopropanoic acid
CID 62231889

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-[(2R)-oxan-2-yl]ethyl]-1-[[4-(trifluoromethyl)phenyl]methyl]urea?
The IUPAC name of 1-methyl-3-[2-[(2R)-oxan-2-yl]ethyl]-1-[[4-(trifluoromethyl)phenyl]methyl]urea (CID 124615784) is 1-methyl-3-[2-[(2R)-oxan-2-yl]ethyl]-1-[[4-(trifluoromethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-methyl-3-[2-[(2R)-oxan-2-yl]ethyl]-1-[[4-(trifluoromethyl)phenyl]methyl]urea?
The canonical SMILES for 1-methyl-3-[2-[(2R)-oxan-2-yl]ethyl]-1-[[4-(trifluoromethyl)phenyl]methyl]urea is CN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCC[C@H]1CCCCO1.
What is the InChIKey of 1-methyl-3-[2-[(2R)-oxan-2-yl]ethyl]-1-[[4-(trifluoromethyl)phenyl]methyl]urea?
The InChIKey is XLYVMYBTTVBVGO-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23F3N2O2/c1-22(12-13-5-7-14(8-6-13)17(18,19)20)16(23)21-10-9-15-4-2-3-11-24-15/h5-8,15H,2-4,9-12H2,1H3,(H,21,23)/t15-/m1/s1.
What are the key properties of 1-methyl-3-[2-[(2R)-oxan-2-yl]ethyl]-1-[[4-(trifluoromethyl)phenyl]methyl]urea?
1-methyl-3-[2-[(2R)-oxan-2-yl]ethyl]-1-[[4-(trifluoromethyl)phenyl]methyl]urea has a molecular weight of 344.38 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-[(2R)-oxan-2-yl]ethyl]-1-[[4-(trifluoromethyl)phenyl]methyl]urea is sourced from PubChem (CID 124615784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).