N-(2-morpholin-4-ylpropyl)-2-(2,2,2-trifluoroethoxy)propanamide

C12H21F3N2O3 — CID 47031584

IUPACN-(2-morpholin-4-ylpropyl)-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(OCC(F)(F)F)C(=O)NCC(C)N1CCOCC1
InChIInChI=1S/C12H21F3N2O3/c1-9(17-3-5-19-6-4-17)7-16-11(18)10(2)20-8-12(13,14)15/h9-10H,3-8H2,1-2H3,(H,16,18)
InChIKeyPPRJHUZPANIYQJ-UHFFFAOYSA-N
MW298.31 g/mol
LogP0.79
Rot. Bonds6

About N-(2-morpholin-4-ylpropyl)-2-(2,2,2-trifluoroethoxy)propanamide

N-(2-morpholin-4-ylpropyl)-2-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 47031584) has the molecular formula C12H21F3N2O3 and a molecular weight of 298.31 g/mol. Its IUPAC name is N-(2-morpholin-4-ylpropyl)-2-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylpropyl)-2-(2,2,2-trifluoroethoxy)propanamide
PubChem CID47031584
Molecular FormulaC12H21F3N2O3
Molecular Weight298.31 g/mol
Exact Mass298.15
IUPAC NameN-(2-morpholin-4-ylpropyl)-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(OCC(F)(F)F)C(=O)NCC(C)N1CCOCC1
InChIInChI=1S/C12H21F3N2O3/c1-9(17-3-5-19-6-4-17)7-16-11(18)10(2)20-8-12(13,14)15/h9-10H,3-8H2,1-2H3,(H,16,18)
InChIKeyPPRJHUZPANIYQJ-UHFFFAOYSA-N
XLogP0.79
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylpropyl)-2-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-(2-morpholin-4-ylpropyl)-2-(2,2,2-trifluoroethoxy)propanamide (CID 47031584) is N-(2-morpholin-4-ylpropyl)-2-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-(2-morpholin-4-ylpropyl)-2-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-(2-morpholin-4-ylpropyl)-2-(2,2,2-trifluoroethoxy)propanamide is CC(OCC(F)(F)F)C(=O)NCC(C)N1CCOCC1.
What is the InChIKey of N-(2-morpholin-4-ylpropyl)-2-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is PPRJHUZPANIYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O3/c1-9(17-3-5-19-6-4-17)7-16-11(18)10(2)20-8-12(13,14)15/h9-10H,3-8H2,1-2H3,(H,16,18).
What are the key properties of N-(2-morpholin-4-ylpropyl)-2-(2,2,2-trifluoroethoxy)propanamide?
N-(2-morpholin-4-ylpropyl)-2-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 298.31 g/mol, XLogP of 0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylpropyl)-2-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 47031584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).