N-cyclohexyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]morpholine-4-carboxamide

C17H23F3N4O3 — CID 3788054

IUPACN-cyclohexyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]morpholine-4-carboxamide
SMILESO=C(NC1CCCCC1)N1CCOC(COc2nccc(C(F)(F)F)n2)C1
InChIInChI=1S/C17H23F3N4O3/c18-17(19,20)14-6-7-21-15(23-14)27-11-13-10-24(8-9-26-13)16(25)22-12-4-2-1-3-5-12/h6-7,12-13H,1-5,8-11H2,(H,22,25)
InChIKeyJPQWFNMCRGKIKM-UHFFFAOYSA-N
MW388.39 g/mol
LogP2.62
Rot. Bonds4

About N-cyclohexyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]morpholine-4-carboxamide

N-cyclohexyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]morpholine-4-carboxamide (PubChem CID 3788054) has the molecular formula C17H23F3N4O3 and a molecular weight of 388.39 g/mol. Its IUPAC name is N-cyclohexyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]morpholine-4-carboxamide
PubChem CID3788054
Molecular FormulaC17H23F3N4O3
Molecular Weight388.39 g/mol
Exact Mass388.17
IUPAC NameN-cyclohexyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]morpholine-4-carboxamide
SMILESO=C(NC1CCCCC1)N1CCOC(COc2nccc(C(F)(F)F)n2)C1
InChIInChI=1S/C17H23F3N4O3/c18-17(19,20)14-6-7-21-15(23-14)27-11-13-10-24(8-9-26-13)16(25)22-12-4-2-1-3-5-12/h6-7,12-13H,1-5,8-11H2,(H,22,25)
InChIKeyJPQWFNMCRGKIKM-UHFFFAOYSA-N
XLogP2.62
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]morpholine-4-carboxamide?
The IUPAC name of N-cyclohexyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]morpholine-4-carboxamide (CID 3788054) is N-cyclohexyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]morpholine-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]morpholine-4-carboxamide?
The canonical SMILES for N-cyclohexyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]morpholine-4-carboxamide is O=C(NC1CCCCC1)N1CCOC(COc2nccc(C(F)(F)F)n2)C1.
What is the InChIKey of N-cyclohexyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]morpholine-4-carboxamide?
The InChIKey is JPQWFNMCRGKIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N4O3/c18-17(19,20)14-6-7-21-15(23-14)27-11-13-10-24(8-9-26-13)16(25)22-12-4-2-1-3-5-12/h6-7,12-13H,1-5,8-11H2,(H,22,25).
What are the key properties of N-cyclohexyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]morpholine-4-carboxamide?
N-cyclohexyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]morpholine-4-carboxamide has a molecular weight of 388.39 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]morpholine-4-carboxamide is sourced from PubChem (CID 3788054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).