N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide

C10H17F3N2O2 — CID 115701031

IUPACN-[2-(2-methylprop-2-enoxy)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESC=C(C)COCCNC(=O)CNCC(F)(F)F
InChIInChI=1S/C10H17F3N2O2/c1-8(2)6-17-4-3-15-9(16)5-14-7-10(11,12)13/h14H,1,3-7H2,2H3,(H,15,16)
InChIKeyPXOLQWDHJRRRIE-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.85
Rot. Bonds8

About N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide

N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 115701031) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-[2-(2-methylprop-2-enoxy)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID115701031
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC NameN-[2-(2-methylprop-2-enoxy)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESC=C(C)COCCNC(=O)CNCC(F)(F)F
InChIInChI=1S/C10H17F3N2O2/c1-8(2)6-17-4-3-15-9(16)5-14-7-10(11,12)13/h14H,1,3-7H2,2H3,(H,15,16)
InChIKeyPXOLQWDHJRRRIE-UHFFFAOYSA-N
XLogP0.85
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-(2-prop-2-enoxyethyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide
CID 167229386
2,2-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
CID 103516110
2,2,3,3-tetrafluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 103769575
N-[2-(2,2-difluoroethoxy)ethyl]-2-(prop-2-enylamino)acetamide
CID 105910361
2,2,3,3,3-pentafluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 108095580
N-[2-(2-methylpropoxy)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 113235208
N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 113258484
2-[2-(2-methylprop-2-enoxy)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 114467416
2-amino-3,3,3-trifluoro-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 114467943
2-[2-(2-methylprop-2-enoxy)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115698232
4,4,4-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]butanamide
CID 115699608
3,3,3-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 115700293

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide (CID 115701031) is N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide is C=C(C)COCCNC(=O)CNCC(F)(F)F.
What is the InChIKey of N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is PXOLQWDHJRRRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-8(2)6-17-4-3-15-9(16)5-14-7-10(11,12)13/h14H,1,3-7H2,2H3,(H,15,16).
What are the key properties of N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 254.25 g/mol, XLogP of 0.85, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 115701031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).