N-(4-methyl-2-morpholin-4-ylpentyl)-2-(2,2,2-trifluoroethoxy)propanamide

C15H27F3N2O3 — CID 47031382

IUPACN-(4-methyl-2-morpholin-4-ylpentyl)-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(C)CC(CNC(=O)C(C)OCC(F)(F)F)N1CCOCC1
InChIInChI=1S/C15H27F3N2O3/c1-11(2)8-13(20-4-6-22-7-5-20)9-19-14(21)12(3)23-10-15(16,17)18/h11-13H,4-10H2,1-3H3,(H,19,21)
InChIKeyASNHFCBTVYEWFX-UHFFFAOYSA-N
MW340.39 g/mol
LogP1.82
Rot. Bonds8

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

N-(4-methyl-2-morpholin-4-ylpentyl)-2-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 47031382) has the molecular formula C15H27F3N2O3 and a molecular weight of 340.39 g/mol. Its IUPAC name is N-(4-methyl-2-morpholin-4-ylpentyl)-2-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(4-methyl-2-morpholin-4-ylpentyl)-2-(2,2,2-trifluoroethoxy)propanamide
PubChem CID47031382
Molecular FormulaC15H27F3N2O3
Molecular Weight340.39 g/mol
Exact Mass340.20
IUPAC NameN-(4-methyl-2-morpholin-4-ylpentyl)-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(C)CC(CNC(=O)C(C)OCC(F)(F)F)N1CCOCC1
InChIInChI=1S/C15H27F3N2O3/c1-11(2)8-13(20-4-6-22-7-5-20)9-19-14(21)12(3)23-10-15(16,17)18/h11-13H,4-10H2,1-3H3,(H,19,21)
InChIKeyASNHFCBTVYEWFX-UHFFFAOYSA-N
XLogP1.82
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Piperazin-1-yl-2-(2,2,2-trifluoroethoxy)propan-1-one
CID 24702376
3-Ethyl-1-[(2,2,3,3-tetrafluoropropoxy)acetyl]piperazine
CID 56748804
(2S)-2-(3-methylbutoxy)-N-[1-[2-oxo-2-(propan-2-ylamino)ethyl]piperidin-4-yl]propanamide
CID 94824925
[1-Oxo-1-(piperidin-4-ylmethylamino)propan-2-yl] 2,2,2-trifluoroacetate
CID 90879080
2,2-Difluoro-5,6-di(propan-2-yl)morpholin-3-one
CID 123225313
1-propan-2-yl-N-(3,3,3-trifluoro-2-methoxypropyl)piperidine-4-carboxamide
CID 126759836
[2-[Ethyl(1-piperidin-4-ylpropyl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate
CID 137369411
(5R)-2,2-difluoro-5-methyl-6-propan-2-ylmorpholin-3-one
CID 145652599
2,2-difluoro-N-[2-(2,2,6-trimethyl-3-oxomorpholin-4-yl)ethyl]acetamide
CID 163549705
6,6-Difluoro-2,5-di(propan-2-yl)morpholin-3-one
CID 170011841
6-Fluoro-5,6-dimethyl-2-propan-2-ylmorpholin-3-one
CID 170015744
(2R,9aS)-5a-fluoro-2-methyl-4-propan-2-yl-5,6,7,8,9,9a-hexahydropyrido[3,4-f][1,4]oxazepin-3-one
CID 173826861

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-morpholin-4-ylpentyl)-2-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-(4-methyl-2-morpholin-4-ylpentyl)-2-(2,2,2-trifluoroethoxy)propanamide (CID 47031382) is N-(4-methyl-2-morpholin-4-ylpentyl)-2-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-(4-methyl-2-morpholin-4-ylpentyl)-2-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-(4-methyl-2-morpholin-4-ylpentyl)-2-(2,2,2-trifluoroethoxy)propanamide is CC(C)CC(CNC(=O)C(C)OCC(F)(F)F)N1CCOCC1.
What is the InChIKey of N-(4-methyl-2-morpholin-4-ylpentyl)-2-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is ASNHFCBTVYEWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2O3/c1-11(2)8-13(20-4-6-22-7-5-20)9-19-14(21)12(3)23-10-15(16,17)18/h11-13H,4-10H2,1-3H3,(H,19,21).
What are the key properties of N-(4-methyl-2-morpholin-4-ylpentyl)-2-(2,2,2-trifluoroethoxy)propanamide?
N-(4-methyl-2-morpholin-4-ylpentyl)-2-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 340.39 g/mol, XLogP of 1.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-morpholin-4-ylpentyl)-2-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 47031382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).