1-(2-morpholin-4-ylethyl)-3-[2-[4-(trifluoromethoxy)phenyl]propan-2-yl]urea

C17H24F3N3O3 — CID 167980023

IUPAC1-(2-morpholin-4-ylethyl)-3-[2-[4-(trifluoromethoxy)phenyl]propan-2-yl]urea
SMILESCC(C)(NC(=O)NCCN1CCOCC1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H24F3N3O3/c1-16(2,13-3-5-14(6-4-13)26-17(18,19)20)22-15(24)21-7-8-23-9-11-25-12-10-23/h3-6H,7-12H2,1-2H3,(H2,21,22,24)
InChIKeySEEGNASSGRVMHO-UHFFFAOYSA-N
MW375.39 g/mol
LogP2.45
Rot. Bonds6

About 1-(2-morpholin-4-ylethyl)-3-[2-[4-(trifluoromethoxy)phenyl]propan-2-yl]urea

1-(2-morpholin-4-ylethyl)-3-[2-[4-(trifluoromethoxy)phenyl]propan-2-yl]urea (PubChem CID 167980023) has the molecular formula C17H24F3N3O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is 1-(2-morpholin-4-ylethyl)-3-[2-[4-(trifluoromethoxy)phenyl]propan-2-yl]urea.

Molecular Properties

Compound Name1-(2-morpholin-4-ylethyl)-3-[2-[4-(trifluoromethoxy)phenyl]propan-2-yl]urea
PubChem CID167980023
Molecular FormulaC17H24F3N3O3
Molecular Weight375.39 g/mol
Exact Mass375.18
IUPAC Name1-(2-morpholin-4-ylethyl)-3-[2-[4-(trifluoromethoxy)phenyl]propan-2-yl]urea
SMILESCC(C)(NC(=O)NCCN1CCOCC1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H24F3N3O3/c1-16(2,13-3-5-14(6-4-13)26-17(18,19)20)22-15(24)21-7-8-23-9-11-25-12-10-23/h3-6H,7-12H2,1-2H3,(H2,21,22,24)
InChIKeySEEGNASSGRVMHO-UHFFFAOYSA-N
XLogP2.45
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2-morpholin-4-ylethyl)-3-[2-[4-(trifluoromethoxy)phenyl]propan-2-yl]urea with MolForge

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Related Compounds

2-methyl-1-(2-morpholin-4-ylethyl)-3-[2-[4-(trifluoromethoxy)phenyl]ethyl]guanidine;hydroiodide
CID 111059502
1-[2-(4-fluorophenyl)-2-methylpropyl]-3-(2-morpholin-4-ylethyl)urea
CID 113213344
3,3,3-trifluoro-2-methyl-2-(2-morpholin-4-ylethylcarbamoylamino)propanoic acid
CID 79791519
2-morpholin-4-ylethyl 4-(trifluoromethoxy)benzoate
CID 166930213
4-methoxy-N-(2-morpholin-4-ylethylcarbamoyl)benzamide
CID 23875507
1-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 25015279
4-N-tert-butyl-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109045886
N'-(4-tert-butylphenyl)-N-(2-morpholin-4-ylethyl)oxamide
CID 108517566
N-(2-morpholin-4-ylethyl)-4-propan-2-yloxybenzamide
CID 6471257
1-[1-(4-hydroxyphenoxy)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 108871039
2-(4-chlorophenoxy)-2-methyl-N-(3-morpholin-4-ylpropyl)propanamide
CID 3973227
1-[(1S)-1-(5-methylfuran-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 94027153

Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-ylethyl)-3-[2-[4-(trifluoromethoxy)phenyl]propan-2-yl]urea?
The IUPAC name of 1-(2-morpholin-4-ylethyl)-3-[2-[4-(trifluoromethoxy)phenyl]propan-2-yl]urea (CID 167980023) is 1-(2-morpholin-4-ylethyl)-3-[2-[4-(trifluoromethoxy)phenyl]propan-2-yl]urea.
What is the SMILES notation for 1-(2-morpholin-4-ylethyl)-3-[2-[4-(trifluoromethoxy)phenyl]propan-2-yl]urea?
The canonical SMILES for 1-(2-morpholin-4-ylethyl)-3-[2-[4-(trifluoromethoxy)phenyl]propan-2-yl]urea is CC(C)(NC(=O)NCCN1CCOCC1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 1-(2-morpholin-4-ylethyl)-3-[2-[4-(trifluoromethoxy)phenyl]propan-2-yl]urea?
The InChIKey is SEEGNASSGRVMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N3O3/c1-16(2,13-3-5-14(6-4-13)26-17(18,19)20)22-15(24)21-7-8-23-9-11-25-12-10-23/h3-6H,7-12H2,1-2H3,(H2,21,22,24).
What are the key properties of 1-(2-morpholin-4-ylethyl)-3-[2-[4-(trifluoromethoxy)phenyl]propan-2-yl]urea?
1-(2-morpholin-4-ylethyl)-3-[2-[4-(trifluoromethoxy)phenyl]propan-2-yl]urea has a molecular weight of 375.39 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-ylethyl)-3-[2-[4-(trifluoromethoxy)phenyl]propan-2-yl]urea is sourced from PubChem (CID 167980023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).