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

C22H26F3N3O2 — CID 112817992

IUPAC1-methyl-3-(2-morpholin-4-yl-1-phenylethyl)-1-[[2-(trifluoromethyl)phenyl]methyl]urea
SMILESCN(Cc1ccccc1C(F)(F)F)C(=O)NC(CN1CCOCC1)c1ccccc1
InChIInChI=1S/C22H26F3N3O2/c1-27(15-18-9-5-6-10-19(18)22(23,24)25)21(29)26-20(17-7-3-2-4-8-17)16-28-11-13-30-14-12-28/h2-10,20H,11-16H2,1H3,(H,26,29)
InChIKeyXTLFSQZDVVZSHP-UHFFFAOYSA-N
MW421.46 g/mol
LogP3.92
Rot. Bonds6

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

1-methyl-3-(2-morpholin-4-yl-1-phenylethyl)-1-[[2-(trifluoromethyl)phenyl]methyl]urea (PubChem CID 112817992) has the molecular formula C22H26F3N3O2 and a molecular weight of 421.46 g/mol. Its IUPAC name is 1-methyl-3-(2-morpholin-4-yl-1-phenylethyl)-1-[[2-(trifluoromethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-methyl-3-(2-morpholin-4-yl-1-phenylethyl)-1-[[2-(trifluoromethyl)phenyl]methyl]urea
PubChem CID112817992
Molecular FormulaC22H26F3N3O2
Molecular Weight421.46 g/mol
Exact Mass421.20
IUPAC Name1-methyl-3-(2-morpholin-4-yl-1-phenylethyl)-1-[[2-(trifluoromethyl)phenyl]methyl]urea
SMILESCN(Cc1ccccc1C(F)(F)F)C(=O)NC(CN1CCOCC1)c1ccccc1
InChIInChI=1S/C22H26F3N3O2/c1-27(15-18-9-5-6-10-19(18)22(23,24)25)21(29)26-20(17-7-3-2-4-8-17)16-28-11-13-30-14-12-28/h2-10,20H,11-16H2,1H3,(H,26,29)
InChIKeyXTLFSQZDVVZSHP-UHFFFAOYSA-N
XLogP3.92
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-morpholin-4-yl-1-phenylethyl)-1-[[2-(trifluoromethyl)phenyl]methyl]urea?
The IUPAC name of 1-methyl-3-(2-morpholin-4-yl-1-phenylethyl)-1-[[2-(trifluoromethyl)phenyl]methyl]urea (CID 112817992) is 1-methyl-3-(2-morpholin-4-yl-1-phenylethyl)-1-[[2-(trifluoromethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-methyl-3-(2-morpholin-4-yl-1-phenylethyl)-1-[[2-(trifluoromethyl)phenyl]methyl]urea?
The canonical SMILES for 1-methyl-3-(2-morpholin-4-yl-1-phenylethyl)-1-[[2-(trifluoromethyl)phenyl]methyl]urea is CN(Cc1ccccc1C(F)(F)F)C(=O)NC(CN1CCOCC1)c1ccccc1.
What is the InChIKey of 1-methyl-3-(2-morpholin-4-yl-1-phenylethyl)-1-[[2-(trifluoromethyl)phenyl]methyl]urea?
The InChIKey is XTLFSQZDVVZSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N3O2/c1-27(15-18-9-5-6-10-19(18)22(23,24)25)21(29)26-20(17-7-3-2-4-8-17)16-28-11-13-30-14-12-28/h2-10,20H,11-16H2,1H3,(H,26,29).
What are the key properties of 1-methyl-3-(2-morpholin-4-yl-1-phenylethyl)-1-[[2-(trifluoromethyl)phenyl]methyl]urea?
1-methyl-3-(2-morpholin-4-yl-1-phenylethyl)-1-[[2-(trifluoromethyl)phenyl]methyl]urea has a molecular weight of 421.46 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-morpholin-4-yl-1-phenylethyl)-1-[[2-(trifluoromethyl)phenyl]methyl]urea is sourced from PubChem (CID 112817992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).