N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide

C16H29F3N2O3 — CID 55596402

IUPACN-(3-ethyl-2-morpholin-4-ylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCCC(CC)C(CNC(=O)CCOCC(F)(F)F)N1CCOCC1
InChIInChI=1S/C16H29F3N2O3/c1-3-13(4-2)14(21-6-9-23-10-7-21)11-20-15(22)5-8-24-12-16(17,18)19/h13-14H,3-12H2,1-2H3,(H,20,22)
InChIKeyUIWBLNVLAXHPTO-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.21
Rot. Bonds10

About N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide

N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 55596402) has the molecular formula C16H29F3N2O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(3-ethyl-2-morpholin-4-ylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID55596402
Molecular FormulaC16H29F3N2O3
Molecular Weight354.41 g/mol
Exact Mass354.21
IUPAC NameN-(3-ethyl-2-morpholin-4-ylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCCC(CC)C(CNC(=O)CCOCC(F)(F)F)N1CCOCC1
InChIInChI=1S/C16H29F3N2O3/c1-3-13(4-2)14(21-6-9-23-10-7-21)11-20-15(22)5-8-24-12-16(17,18)19/h13-14H,3-12H2,1-2H3,(H,20,22)
InChIKeyUIWBLNVLAXHPTO-UHFFFAOYSA-N
XLogP2.21
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide (CID 55596402) is N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide is CCC(CC)C(CNC(=O)CCOCC(F)(F)F)N1CCOCC1.
What is the InChIKey of N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is UIWBLNVLAXHPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29F3N2O3/c1-3-13(4-2)14(21-6-9-23-10-7-21)11-20-15(22)5-8-24-12-16(17,18)19/h13-14H,3-12H2,1-2H3,(H,20,22).
What are the key properties of N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide?
N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 354.41 g/mol, XLogP of 2.21, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 55596402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).