N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide

C9H17F3N2O3 — CID 79260920

IUPACN-(2-hydroxy-3-methoxypropyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCOCC(O)CN(C)C(=O)CNCC(F)(F)F
InChIInChI=1S/C9H17F3N2O3/c1-14(4-7(15)5-17-2)8(16)3-13-6-9(10,11)12/h7,13,15H,3-6H2,1-2H3
InChIKeyJGKPMAZLTJHIEN-UHFFFAOYSA-N
MW258.24 g/mol
LogP-0.40
Rot. Bonds7

About N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide

N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 79260920) has the molecular formula C9H17F3N2O3 and a molecular weight of 258.24 g/mol. Its IUPAC name is N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-methoxypropyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID79260920
Molecular FormulaC9H17F3N2O3
Molecular Weight258.24 g/mol
Exact Mass258.12
IUPAC NameN-(2-hydroxy-3-methoxypropyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCOCC(O)CN(C)C(=O)CNCC(F)(F)F
InChIInChI=1S/C9H17F3N2O3/c1-14(4-7(15)5-17-2)8(16)3-13-6-9(10,11)12/h7,13,15H,3-6H2,1-2H3
InChIKeyJGKPMAZLTJHIEN-UHFFFAOYSA-N
XLogP-0.40
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-hydroxypropyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 53624433
2-[butyl(2-hydroxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 60689235
2-[2-hydroxyethyl(propyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 60691864
N-(2-hydroxyethyl)-2-[propyl(2,2,2-trifluoroethyl)amino]acetamide
CID 61608096
N-(2-hydroxyethyl)-2-(propylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 61809848
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 62014772
2-[2-hydroxypropyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 62332980
N-propyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]acetamide
CID 63899222
2-[Methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]-1-piperazin-1-ylethanone
CID 63902327
2-[(2-hydroxy-3-methoxypropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 64314780
2-(2,3-dihydroxypropylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 66170998
2-[(2,3-dihydroxy-2-methylpropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 66186009

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide (CID 79260920) is N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide is COCC(O)CN(C)C(=O)CNCC(F)(F)F.
What is the InChIKey of N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is JGKPMAZLTJHIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O3/c1-14(4-7(15)5-17-2)8(16)3-13-6-9(10,11)12/h7,13,15H,3-6H2,1-2H3.
What are the key properties of N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide?
N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 258.24 g/mol, XLogP of -0.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 79260920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).