2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(2,2,2-trifluoroethyl)propanamide

C12H21F3N2O2 — CID 109397933

IUPAC2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C(=O)NCC(F)(F)F)N(C)CC1CCCC1O
InChIInChI=1S/C12H21F3N2O2/c1-8(11(19)16-7-12(13,14)15)17(2)6-9-4-3-5-10(9)18/h8-10,18H,3-7H2,1-2H3,(H,16,19)
InChIKeyBJZLVQOXGISIFJ-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.15
Rot. Bonds5

About 2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(2,2,2-trifluoroethyl)propanamide

2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 109397933) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID109397933
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Name2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C(=O)NCC(F)(F)F)N(C)CC1CCCC1O
InChIInChI=1S/C12H21F3N2O2/c1-8(11(19)16-7-12(13,14)15)17(2)6-9-4-3-5-10(9)18/h8-10,18H,3-7H2,1-2H3,(H,16,19)
InChIKeyBJZLVQOXGISIFJ-UHFFFAOYSA-N
XLogP1.15
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-fluorophenyl)methyl]-2-[(2-hydroxycyclopentyl)methyl-methylamino]propanamide
CID 109397881
2-[methyl(piperidin-3-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 106636258
2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(2-methylcyclohexyl)propanamide
CID 109398455
N-(3,5-dimethylphenyl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]propanamide
CID 109398054
2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(1-phenylethyl)propanamide
CID 109398067
(2S)-N,2-dimethyl-3-[methyl-[(2S)-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]amino]propanamide
CID 97237748
2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(3-methylphenyl)propanamide
CID 109398085
1-(4-ethylpiperazin-1-yl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]propan-1-one
CID 109397804
N-(3-chloro-4-cyanophenyl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]propanamide
CID 109398109
2-[methyl-[(2-methylphenyl)methyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 78787853
2-[(2-hydroxycyclohexyl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 75448405
1-cyclobutyl-1-methyl-3-(2,2,2-trifluoroethyl)urea
CID 115662998

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(2,2,2-trifluoroethyl)propanamide (CID 109397933) is 2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(2,2,2-trifluoroethyl)propanamide is CC(C(=O)NCC(F)(F)F)N(C)CC1CCCC1O.
What is the InChIKey of 2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is BJZLVQOXGISIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-8(11(19)16-7-12(13,14)15)17(2)6-9-4-3-5-10(9)18/h8-10,18H,3-7H2,1-2H3,(H,16,19).
What are the key properties of 2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(2,2,2-trifluoroethyl)propanamide?
2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 282.31 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 109397933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).