1-(3-methyl-2-morpholin-4-ylbutyl)-3-[3-(trifluoromethyl)cyclohexyl]urea

C17H30F3N3O2 — CID 55745083

IUPAC1-(3-methyl-2-morpholin-4-ylbutyl)-3-[3-(trifluoromethyl)cyclohexyl]urea
SMILESCC(C)C(CNC(=O)NC1CCCC(C(F)(F)F)C1)N1CCOCC1
InChIInChI=1S/C17H30F3N3O2/c1-12(2)15(23-6-8-25-9-7-23)11-21-16(24)22-14-5-3-4-13(10-14)17(18,19)20/h12-15H,3-11H2,1-2H3,(H2,21,22,24)
InChIKeyMPZGVKBOUBNJHG-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.76
Rot. Bonds5

About 1-(3-methyl-2-morpholin-4-ylbutyl)-3-[3-(trifluoromethyl)cyclohexyl]urea

1-(3-methyl-2-morpholin-4-ylbutyl)-3-[3-(trifluoromethyl)cyclohexyl]urea (PubChem CID 55745083) has the molecular formula C17H30F3N3O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 1-(3-methyl-2-morpholin-4-ylbutyl)-3-[3-(trifluoromethyl)cyclohexyl]urea.

Molecular Properties

Compound Name1-(3-methyl-2-morpholin-4-ylbutyl)-3-[3-(trifluoromethyl)cyclohexyl]urea
PubChem CID55745083
Molecular FormulaC17H30F3N3O2
Molecular Weight365.44 g/mol
Exact Mass365.23
IUPAC Name1-(3-methyl-2-morpholin-4-ylbutyl)-3-[3-(trifluoromethyl)cyclohexyl]urea
SMILESCC(C)C(CNC(=O)NC1CCCC(C(F)(F)F)C1)N1CCOCC1
InChIInChI=1S/C17H30F3N3O2/c1-12(2)15(23-6-8-25-9-7-23)11-21-16(24)22-14-5-3-4-13(10-14)17(18,19)20/h12-15H,3-11H2,1-2H3,(H2,21,22,24)
InChIKeyMPZGVKBOUBNJHG-UHFFFAOYSA-N
XLogP2.76
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3-methyl-2-morpholin-4-ylbutyl)-3-[3-(trifluoromethyl)cyclohexyl]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-(3-methyl-2-morpholin-4-ylbutyl)-3-[3-(trifluoromethyl)cyclohexyl]urea?
The IUPAC name of 1-(3-methyl-2-morpholin-4-ylbutyl)-3-[3-(trifluoromethyl)cyclohexyl]urea (CID 55745083) is 1-(3-methyl-2-morpholin-4-ylbutyl)-3-[3-(trifluoromethyl)cyclohexyl]urea.
What is the SMILES notation for 1-(3-methyl-2-morpholin-4-ylbutyl)-3-[3-(trifluoromethyl)cyclohexyl]urea?
The canonical SMILES for 1-(3-methyl-2-morpholin-4-ylbutyl)-3-[3-(trifluoromethyl)cyclohexyl]urea is CC(C)C(CNC(=O)NC1CCCC(C(F)(F)F)C1)N1CCOCC1.
What is the InChIKey of 1-(3-methyl-2-morpholin-4-ylbutyl)-3-[3-(trifluoromethyl)cyclohexyl]urea?
The InChIKey is MPZGVKBOUBNJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30F3N3O2/c1-12(2)15(23-6-8-25-9-7-23)11-21-16(24)22-14-5-3-4-13(10-14)17(18,19)20/h12-15H,3-11H2,1-2H3,(H2,21,22,24).
What are the key properties of 1-(3-methyl-2-morpholin-4-ylbutyl)-3-[3-(trifluoromethyl)cyclohexyl]urea?
1-(3-methyl-2-morpholin-4-ylbutyl)-3-[3-(trifluoromethyl)cyclohexyl]urea has a molecular weight of 365.44 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2-morpholin-4-ylbutyl)-3-[3-(trifluoromethyl)cyclohexyl]urea is sourced from PubChem (CID 55745083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).