3-cyclohexyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide

C20H27F3N2O2 — CID 18289101

IUPAC3-cyclohexyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCC1CCCCC1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C20H27F3N2O2/c21-20(22,23)16-7-8-18(25-10-12-27-13-11-25)17(14-16)24-19(26)9-6-15-4-2-1-3-5-15/h7-8,14-15H,1-6,9-13H2,(H,24,26)
InChIKeyCRPMDUDBODAOHE-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.84
Rot. Bonds5

About 3-cyclohexyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide

3-cyclohexyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide (PubChem CID 18289101) has the molecular formula C20H27F3N2O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 3-cyclohexyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
PubChem CID18289101
Molecular FormulaC20H27F3N2O2
Molecular Weight384.44 g/mol
Exact Mass384.20
IUPAC Name3-cyclohexyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCC1CCCCC1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C20H27F3N2O2/c21-20(22,23)16-7-8-18(25-10-12-27-13-11-25)17(14-16)24-19(26)9-6-15-4-2-1-3-5-15/h7-8,14-15H,1-6,9-13H2,(H,24,26)
InChIKeyCRPMDUDBODAOHE-UHFFFAOYSA-N
XLogP4.84
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-cyclohexyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide (CID 18289101) is 3-cyclohexyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-cyclohexyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide is O=C(CCC1CCCCC1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1.
What is the InChIKey of 3-cyclohexyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide?
The InChIKey is CRPMDUDBODAOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F3N2O2/c21-20(22,23)16-7-8-18(25-10-12-27-13-11-25)17(14-16)24-19(26)9-6-15-4-2-1-3-5-15/h7-8,14-15H,1-6,9-13H2,(H,24,26).
What are the key properties of 3-cyclohexyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide?
3-cyclohexyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide has a molecular weight of 384.44 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 18289101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).