N-(2-methoxyethyl)-N-pentan-3-yl-2-(2,2,2-trifluoroethylamino)acetamide

C12H23F3N2O2 — CID 78924232

IUPACN-(2-methoxyethyl)-N-pentan-3-yl-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCCC(CC)N(CCOC)C(=O)CNCC(F)(F)F
InChIInChI=1S/C12H23F3N2O2/c1-4-10(5-2)17(6-7-19-3)11(18)8-16-9-12(13,14)15/h10,16H,4-9H2,1-3H3
InChIKeyZRSDOQNAXAFHET-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.80
Rot. Bonds9

About N-(2-methoxyethyl)-N-pentan-3-yl-2-(2,2,2-trifluoroethylamino)acetamide

N-(2-methoxyethyl)-N-pentan-3-yl-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78924232) has the molecular formula C12H23F3N2O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-pentan-3-yl-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-pentan-3-yl-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78924232
Molecular FormulaC12H23F3N2O2
Molecular Weight284.32 g/mol
Exact Mass284.17
IUPAC NameN-(2-methoxyethyl)-N-pentan-3-yl-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCCC(CC)N(CCOC)C(=O)CNCC(F)(F)F
InChIInChI=1S/C12H23F3N2O2/c1-4-10(5-2)17(6-7-19-3)11(18)8-16-9-12(13,14)15/h10,16H,4-9H2,1-3H3
InChIKeyZRSDOQNAXAFHET-UHFFFAOYSA-N
XLogP1.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78957904
N-(1-methoxypropan-2-yl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 78957945
2-(2-aminoethoxy)-N-(2-methoxyethyl)-N-pentan-3-ylacetamide
CID 79474034
N-(2-methoxyethyl)-2-[1-(methylamino)cyclohexyl]-N-pentan-3-ylacetamide
CID 65242111
N-(2-methoxyethyl)-N-pentan-3-yl-4-(propan-2-ylamino)butanamide
CID 54871818
3-(cyclopropylamino)-N-(2-methoxyethyl)-N-pentan-3-ylpropanamide
CID 54871842
2-[[2-methoxyethyl(pentan-3-yl)carbamoyl]amino]-2-methylbutanoic acid
CID 79801985
2-bromo-N-(2-methoxyethyl)-N-pentan-3-ylbutanamide
CID 62855963
2-[methyl-[2-(2,2,2-trifluoroethylamino)acetyl]amino]butanoic acid
CID 79261617
N-(1-hydroxypropan-2-yl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 115869500
N-(2-methoxyethyl)-2-(4-methylphenyl)-N-pentan-3-ylacetamide
CID 86982114
ethyl N-pentan-3-yl-N-(2,2,2-trifluoroethyl)carbamate
CID 64591828

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-pentan-3-yl-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(2-methoxyethyl)-N-pentan-3-yl-2-(2,2,2-trifluoroethylamino)acetamide (CID 78924232) is N-(2-methoxyethyl)-N-pentan-3-yl-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-pentan-3-yl-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(2-methoxyethyl)-N-pentan-3-yl-2-(2,2,2-trifluoroethylamino)acetamide is CCC(CC)N(CCOC)C(=O)CNCC(F)(F)F.
What is the InChIKey of N-(2-methoxyethyl)-N-pentan-3-yl-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is ZRSDOQNAXAFHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O2/c1-4-10(5-2)17(6-7-19-3)11(18)8-16-9-12(13,14)15/h10,16H,4-9H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-N-pentan-3-yl-2-(2,2,2-trifluoroethylamino)acetamide?
N-(2-methoxyethyl)-N-pentan-3-yl-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 284.32 g/mol, XLogP of 1.80, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-pentan-3-yl-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78924232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).