N-(1-methoxypropan-2-yl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide

C9H17F3N2O2 — CID 78957945

IUPACN-(1-methoxypropan-2-yl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCOCC(C)N(C)C(=O)CNCC(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-7(5-16-3)14(2)8(15)4-13-6-9(10,11)12/h7,13H,4-6H2,1-3H3
InChIKeyQOGXSONKRRIGEU-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.63
Rot. Bonds6

About N-(1-methoxypropan-2-yl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide

N-(1-methoxypropan-2-yl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78957945) has the molecular formula C9H17F3N2O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78957945
Molecular FormulaC9H17F3N2O2
Molecular Weight242.24 g/mol
Exact Mass242.12
IUPAC NameN-(1-methoxypropan-2-yl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCOCC(C)N(C)C(=O)CNCC(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-7(5-16-3)14(2)8(15)4-13-6-9(10,11)12/h7,13H,4-6H2,1-3H3
InChIKeyQOGXSONKRRIGEU-UHFFFAOYSA-N
XLogP0.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxypropan-2-yl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 115869500
N-(1-methoxypropan-2-yl)-N-methyl-2-(prop-2-ynylamino)acetamide
CID 79287394
2-[methyl-[2-(2,2,2-trifluoroethylamino)acetyl]amino]butanoic acid
CID 79261617
N-(2-methoxyethyl)-N-pentan-3-yl-2-(2,2,2-trifluoroethylamino)acetamide
CID 78924232
N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78957904
N-(2-methoxyphenyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 78931832
1-ethoxypropan-2-yl 2-(2,2,2-trifluoroethylamino)acetate
CID 103489051
N-[1-(2-chlorophenyl)ethyl]-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 78957895
N-[2-(diethylamino)-2-oxoethyl]-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914738
2,2-diethyl-4-[1-methoxypropan-2-yl(methyl)amino]-4-oxobutanoic acid
CID 60948695
N-(1-ethylsulfonylpropan-2-yl)-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride
CID 119786374
4-chloro-N-(1-methoxypropan-2-yl)-N-methylbutanamide
CID 63307610

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide (CID 78957945) is N-(1-methoxypropan-2-yl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide is COCC(C)N(C)C(=O)CNCC(F)(F)F.
What is the InChIKey of N-(1-methoxypropan-2-yl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is QOGXSONKRRIGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2/c1-7(5-16-3)14(2)8(15)4-13-6-9(10,11)12/h7,13H,4-6H2,1-3H3.
What are the key properties of N-(1-methoxypropan-2-yl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide?
N-(1-methoxypropan-2-yl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 242.24 g/mol, XLogP of 0.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78957945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).