1-(3-methyl-2-morpholin-4-ylbutyl)-3-[4-(trifluoromethoxy)phenyl]urea

C17H24F3N3O3 — CID 86986663

IUPAC1-(3-methyl-2-morpholin-4-ylbutyl)-3-[4-(trifluoromethoxy)phenyl]urea
SMILESCC(C)C(CNC(=O)Nc1ccc(OC(F)(F)F)cc1)N1CCOCC1
InChIInChI=1S/C17H24F3N3O3/c1-12(2)15(23-7-9-25-10-8-23)11-21-16(24)22-13-3-5-14(6-4-13)26-17(18,19)20/h3-6,12,15H,7-11H2,1-2H3,(H2,21,22,24)
InChIKeyGBQGGNOTMYYFPK-UHFFFAOYSA-N
MW375.39 g/mol
LogP3.06
Rot. Bonds6

About 1-(3-methyl-2-morpholin-4-ylbutyl)-3-[4-(trifluoromethoxy)phenyl]urea

1-(3-methyl-2-morpholin-4-ylbutyl)-3-[4-(trifluoromethoxy)phenyl]urea (PubChem CID 86986663) has the molecular formula C17H24F3N3O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is 1-(3-methyl-2-morpholin-4-ylbutyl)-3-[4-(trifluoromethoxy)phenyl]urea.

Molecular Properties

Compound Name1-(3-methyl-2-morpholin-4-ylbutyl)-3-[4-(trifluoromethoxy)phenyl]urea
PubChem CID86986663
Molecular FormulaC17H24F3N3O3
Molecular Weight375.39 g/mol
Exact Mass375.18
IUPAC Name1-(3-methyl-2-morpholin-4-ylbutyl)-3-[4-(trifluoromethoxy)phenyl]urea
SMILESCC(C)C(CNC(=O)Nc1ccc(OC(F)(F)F)cc1)N1CCOCC1
InChIInChI=1S/C17H24F3N3O3/c1-12(2)15(23-7-9-25-10-8-23)11-21-16(24)22-13-3-5-14(6-4-13)26-17(18,19)20/h3-6,12,15H,7-11H2,1-2H3,(H2,21,22,24)
InChIKeyGBQGGNOTMYYFPK-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)-3-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea
CID 30739567
1-(3-ethyl-2-morpholin-4-ylpentyl)-3-(4-fluorophenyl)urea
CID 24664998
1-[2-methyl-3-(methylamino)propyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 115565113
N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 30835239
1-(2,4-difluorophenyl)-3-(3-methyl-2-morpholin-4-ylbutyl)urea
CID 42938134
1-(4-amino-2-methylbutyl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 115565179
1-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 25015279
4-(4-fluorophenoxy)-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]benzamide
CID 32627981
N-(2-methylpropyl)-2-[4-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]piperazin-1-yl]acetamide
CID 9435405
methyl 2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]acetate
CID 115565125
1-(4-acetylphenyl)-3-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea
CID 134040587
2-(4-bromophenoxy)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide
CID 18153802

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-2-morpholin-4-ylbutyl)-3-[4-(trifluoromethoxy)phenyl]urea?
The IUPAC name of 1-(3-methyl-2-morpholin-4-ylbutyl)-3-[4-(trifluoromethoxy)phenyl]urea (CID 86986663) is 1-(3-methyl-2-morpholin-4-ylbutyl)-3-[4-(trifluoromethoxy)phenyl]urea.
What is the SMILES notation for 1-(3-methyl-2-morpholin-4-ylbutyl)-3-[4-(trifluoromethoxy)phenyl]urea?
The canonical SMILES for 1-(3-methyl-2-morpholin-4-ylbutyl)-3-[4-(trifluoromethoxy)phenyl]urea is CC(C)C(CNC(=O)Nc1ccc(OC(F)(F)F)cc1)N1CCOCC1.
What is the InChIKey of 1-(3-methyl-2-morpholin-4-ylbutyl)-3-[4-(trifluoromethoxy)phenyl]urea?
The InChIKey is GBQGGNOTMYYFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N3O3/c1-12(2)15(23-7-9-25-10-8-23)11-21-16(24)22-13-3-5-14(6-4-13)26-17(18,19)20/h3-6,12,15H,7-11H2,1-2H3,(H2,21,22,24).
What are the key properties of 1-(3-methyl-2-morpholin-4-ylbutyl)-3-[4-(trifluoromethoxy)phenyl]urea?
1-(3-methyl-2-morpholin-4-ylbutyl)-3-[4-(trifluoromethoxy)phenyl]urea has a molecular weight of 375.39 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2-morpholin-4-ylbutyl)-3-[4-(trifluoromethoxy)phenyl]urea is sourced from PubChem (CID 86986663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).