1-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-3-[[4-(propan-2-yloxymethyl)phenyl]methyl]urea

C23H28F3N3O3 — CID 55744650

IUPAC1-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-3-[[4-(propan-2-yloxymethyl)phenyl]methyl]urea
SMILESCC(C)OCc1ccc(CNC(=O)Nc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1
InChIInChI=1S/C23H28F3N3O3/c1-16(2)32-15-18-5-3-17(4-6-18)14-27-22(30)28-21-8-7-19(13-20(21)23(24,25)26)29-9-11-31-12-10-29/h3-8,13,16H,9-12,14-15H2,1-2H3,(H2,27,28,30)
InChIKeyZWPUODHIBBFLRF-UHFFFAOYSA-N
MW451.49 g/mol
LogP4.79
Rot. Bonds7

About 1-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-3-[[4-(propan-2-yloxymethyl)phenyl]methyl]urea

1-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-3-[[4-(propan-2-yloxymethyl)phenyl]methyl]urea (PubChem CID 55744650) has the molecular formula C23H28F3N3O3 and a molecular weight of 451.49 g/mol. Its IUPAC name is 1-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-3-[[4-(propan-2-yloxymethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-3-[[4-(propan-2-yloxymethyl)phenyl]methyl]urea
PubChem CID55744650
Molecular FormulaC23H28F3N3O3
Molecular Weight451.49 g/mol
Exact Mass451.21
IUPAC Name1-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-3-[[4-(propan-2-yloxymethyl)phenyl]methyl]urea
SMILESCC(C)OCc1ccc(CNC(=O)Nc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1
InChIInChI=1S/C23H28F3N3O3/c1-16(2)32-15-18-5-3-17(4-6-18)14-27-22(30)28-21-8-7-19(13-20(21)23(24,25)26)29-9-11-31-12-10-29/h3-8,13,16H,9-12,14-15H2,1-2H3,(H2,27,28,30)
InChIKeyZWPUODHIBBFLRF-UHFFFAOYSA-N
XLogP4.79
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.49
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-3-[[4-(propan-2-yloxymethyl)phenyl]methyl]urea with MolForge

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Related Compounds

1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]urea
CID 55744621
(2R)-2-(6-methoxynaphthalen-2-yl)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]propanamide
CID 51959604
1-[(4-morpholin-4-ylphenyl)methyl]-3-(4-propan-2-ylphenyl)urea
CID 86830614
propan-2-yl 2,4-dimethyl-5-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate
CID 55864298
1-(3-methyl-1,2-thiazol-5-yl)-3-[(4-morpholin-4-ylphenyl)methyl]urea
CID 167814480
N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 71883058
(4-morpholin-4-ylphenyl)methylurea
CID 142276122
4-(5-methylthiophen-2-yl)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-4-oxobutanamide
CID 55795204
1-(4-ethoxy-3-fluorophenyl)-3-[(4-morpholin-4-ylphenyl)methyl]urea
CID 86830758
1-[2-(4-fluorophenyl)ethyl]-3-(2-methyl-4-morpholin-4-ylphenyl)urea
CID 34692095
2-methyl-1-[(4-methylphenyl)methyl]-3-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]guanidine;hydroiodide
CID 111244274
N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 55795168

Frequently Asked Questions

What is the IUPAC name of 1-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-3-[[4-(propan-2-yloxymethyl)phenyl]methyl]urea?
The IUPAC name of 1-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-3-[[4-(propan-2-yloxymethyl)phenyl]methyl]urea (CID 55744650) is 1-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-3-[[4-(propan-2-yloxymethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-3-[[4-(propan-2-yloxymethyl)phenyl]methyl]urea?
The canonical SMILES for 1-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-3-[[4-(propan-2-yloxymethyl)phenyl]methyl]urea is CC(C)OCc1ccc(CNC(=O)Nc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1.
What is the InChIKey of 1-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-3-[[4-(propan-2-yloxymethyl)phenyl]methyl]urea?
The InChIKey is ZWPUODHIBBFLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F3N3O3/c1-16(2)32-15-18-5-3-17(4-6-18)14-27-22(30)28-21-8-7-19(13-20(21)23(24,25)26)29-9-11-31-12-10-29/h3-8,13,16H,9-12,14-15H2,1-2H3,(H2,27,28,30).
What are the key properties of 1-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-3-[[4-(propan-2-yloxymethyl)phenyl]methyl]urea?
1-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-3-[[4-(propan-2-yloxymethyl)phenyl]methyl]urea has a molecular weight of 451.49 g/mol, XLogP of 4.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-3-[[4-(propan-2-yloxymethyl)phenyl]methyl]urea is sourced from PubChem (CID 55744650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).