N-tert-butyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide

C11H21F3N2O2 — CID 55031814

IUPACN-tert-butyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide
SMILESCC(NCCOCC(F)(F)F)C(=O)NC(C)(C)C
InChIInChI=1S/C11H21F3N2O2/c1-8(9(17)16-10(2,3)4)15-5-6-18-7-11(12,13)14/h8,15H,5-7H2,1-4H3,(H,16,17)
InChIKeyODWHXZLPPAYOSQ-UHFFFAOYSA-N
MW270.30 g/mol
LogP1.46
Rot. Bonds6

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

N-tert-butyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide (PubChem CID 55031814) has the molecular formula C11H21F3N2O2 and a molecular weight of 270.30 g/mol. Its IUPAC name is N-tert-butyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide
PubChem CID55031814
Molecular FormulaC11H21F3N2O2
Molecular Weight270.30 g/mol
Exact Mass270.16
IUPAC NameN-tert-butyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide
SMILESCC(NCCOCC(F)(F)F)C(=O)NC(C)(C)C
InChIInChI=1S/C11H21F3N2O2/c1-8(9(17)16-10(2,3)4)15-5-6-18-7-11(12,13)14/h8,15H,5-7H2,1-4H3,(H,16,17)
InChIKeyODWHXZLPPAYOSQ-UHFFFAOYSA-N
XLogP1.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 51.46
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-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 53609803
2-amino-N-(1,1-difluoro-2-propan-2-yloxyethyl)-2-methylpropanamide
CID 57700716
2-amino-N-(1,1-difluoro-2-propan-2-yloxyethyl)propanamide
CID 57700797
Ethyl 2-(2-aminoethylamino)-3,3-difluoro-2-methylpropanoate
CID 90986126
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
Ethyl 2-[[2-methyl-2-(2,2,2-trifluoroethylamino)propyl]amino]acetate
CID 129285081
Ethyl 2-[[2-(tert-butylamino)acetyl]-(1,2,2-trifluoroethyl)amino]acetate
CID 134229631
Ethyl 2-[2-[(2,2,2-trifluoroacetyl)amino]propanoylamino]propanoate
CID 23278174
methyl 2-methyl-2-[[(2S)-2-[(2,2,2-trifluoroacetyl)amino]propanoyl]amino]propanoate
CID 26793032
1-Morpholin-4-yl-2-(2,2,2-trifluoroethylamino)propan-1-one
CID 43089166
N-(2-methoxyethyl)-2-(2,2,2-trifluoroethylamino)propanamide
CID 43089172

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide?
The IUPAC name of N-tert-butyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide (CID 55031814) is N-tert-butyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide?
The canonical SMILES for N-tert-butyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide is CC(NCCOCC(F)(F)F)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide?
The InChIKey is ODWHXZLPPAYOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O2/c1-8(9(17)16-10(2,3)4)15-5-6-18-7-11(12,13)14/h8,15H,5-7H2,1-4H3,(H,16,17).
What are the key properties of N-tert-butyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide?
N-tert-butyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide has a molecular weight of 270.30 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide is sourced from PubChem (CID 55031814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).