N-(2-methylpropyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide

C11H21F3N2O2 — CID 60734500

IUPACN-(2-methylpropyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide
SMILESCC(C)CNC(=O)C(C)NCCOCC(F)(F)F
InChIInChI=1S/C11H21F3N2O2/c1-8(2)6-16-10(17)9(3)15-4-5-18-7-11(12,13)14/h8-9,15H,4-7H2,1-3H3,(H,16,17)
InChIKeyVYOISTMZOZFGNP-UHFFFAOYSA-N
MW270.30 g/mol
LogP1.32
Rot. Bonds8

About N-(2-methylpropyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide

N-(2-methylpropyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide (PubChem CID 60734500) has the molecular formula C11H21F3N2O2 and a molecular weight of 270.30 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide
PubChem CID60734500
Molecular FormulaC11H21F3N2O2
Molecular Weight270.30 g/mol
Exact Mass270.16
IUPAC NameN-(2-methylpropyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide
SMILESCC(C)CNC(=O)C(C)NCCOCC(F)(F)F
InChIInChI=1S/C11H21F3N2O2/c1-8(2)6-16-10(17)9(3)15-4-5-18-7-11(12,13)14/h8-9,15H,4-7H2,1-3H3,(H,16,17)
InChIKeyVYOISTMZOZFGNP-UHFFFAOYSA-N
XLogP1.32
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[2-[2-(2,2,2-trifluoroethoxy)propanoylamino]ethyl]propanamide
CID 47031355
L-Valine, N-(trifluoroacetyl)-, butyl ester
CID 13783313
2-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 53609803
N-(2-methoxyethyl)-2-[methyl(2-methylpropyl)amino]propanamide
CID 75385915
2-(3-Fluoropropylamino)-3-methyl-1-morpholin-4-ylbutan-1-one
CID 86782235
N-Trifluoroacetyl-n-butyl ester of valine
CID 519002
Methyl 2-[[2-[[3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]amino]acetyl]amino]propanoate
CID 542112
L-Alanine, N-[N-[N-(trifluoroacetyl)-L-valyl]glycyl]-, methyl ester
CID 22213388
2-amino-N-(1,1-difluoro-2-propan-2-yloxyethyl)propanamide
CID 57700797
2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide
CID 60730648
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

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide?
The IUPAC name of N-(2-methylpropyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide (CID 60734500) is N-(2-methylpropyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide.
What is the SMILES notation for N-(2-methylpropyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide?
The canonical SMILES for N-(2-methylpropyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide is CC(C)CNC(=O)C(C)NCCOCC(F)(F)F.
What is the InChIKey of N-(2-methylpropyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide?
The InChIKey is VYOISTMZOZFGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O2/c1-8(2)6-16-10(17)9(3)15-4-5-18-7-11(12,13)14/h8-9,15H,4-7H2,1-3H3,(H,16,17).
What are the key properties of N-(2-methylpropyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide?
N-(2-methylpropyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide has a molecular weight of 270.30 g/mol, XLogP of 1.32, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide is sourced from PubChem (CID 60734500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).