N-(1-methoxypropan-2-yl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetamide

C10H19F3N2O3 — CID 55262034

IUPACN-(1-methoxypropan-2-yl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetamide
SMILESCOCC(C)NC(=O)CNCCOCC(F)(F)F
InChIInChI=1S/C10H19F3N2O3/c1-8(6-17-2)15-9(16)5-14-3-4-18-7-10(11,12)13/h8,14H,3-7H2,1-2H3,(H,15,16)
InChIKeyZKRINTRQTXIFOS-UHFFFAOYSA-N
MW272.27 g/mol
LogP0.31
Rot. Bonds9

About N-(1-methoxypropan-2-yl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetamide

N-(1-methoxypropan-2-yl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetamide (PubChem CID 55262034) has the molecular formula C10H19F3N2O3 and a molecular weight of 272.27 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetamide
PubChem CID55262034
Molecular FormulaC10H19F3N2O3
Molecular Weight272.27 g/mol
Exact Mass272.13
IUPAC NameN-(1-methoxypropan-2-yl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetamide
SMILESCOCC(C)NC(=O)CNCCOCC(F)(F)F
InChIInChI=1S/C10H19F3N2O3/c1-8(6-17-2)15-9(16)5-14-3-4-18-7-10(11,12)13/h8,14H,3-7H2,1-2H3,(H,15,16)
InChIKeyZKRINTRQTXIFOS-UHFFFAOYSA-N
XLogP0.31
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N1-(2-morpholinoethyl)-N2-(2,2,2-trifluoroethyl)oxalamide
CID 45585038
N1-(2-methoxyethyl)-N2-(2,2,2-trifluoroethyl)oxalamide
CID 45585926
2-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 53609803
Ethyl 2-[[2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]acetate
CID 23278170
2-amino-N-(1,1-difluoro-2-propan-2-yloxyethyl)propanamide
CID 57700797
N-(1-ethoxypropan-2-yl)-2,2,2-trifluoroacetamide
CID 57737704
2,2,2-trifluoro-N-methyl-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]acetamide
CID 58007240
2-[[2-(Ethylamino)acetyl]amino]ethyl 2,2,2-trifluoroacetate
CID 87324565
2-[[(2R)-2-aminopropanoyl]amino]ethyl 2,2,2-trifluoroacetate
CID 89421100
2,2,2-trifluoro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide
CID 122605534
Ethyl 2-[[2-(tert-butylamino)acetyl]-(2,2,2-trifluoroethyl)amino]acetate
CID 122625182
N-[1-[2-[(2-fluoroacetyl)amino]propoxy]propan-2-yl]carbamoyl fluoride
CID 131979484

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetamide (CID 55262034) is N-(1-methoxypropan-2-yl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetamide is COCC(C)NC(=O)CNCCOCC(F)(F)F.
What is the InChIKey of N-(1-methoxypropan-2-yl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetamide?
The InChIKey is ZKRINTRQTXIFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O3/c1-8(6-17-2)15-9(16)5-14-3-4-18-7-10(11,12)13/h8,14H,3-7H2,1-2H3,(H,15,16).
What are the key properties of N-(1-methoxypropan-2-yl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetamide?
N-(1-methoxypropan-2-yl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetamide has a molecular weight of 272.27 g/mol, XLogP of 0.31, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetamide is sourced from PubChem (CID 55262034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).