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

C11H21F3N2O2 — CID 55031854

IUPACN,N-diethyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide
SMILESCCN(CC)C(=O)C(C)NCCOCC(F)(F)F
InChIInChI=1S/C11H21F3N2O2/c1-4-16(5-2)10(17)9(3)15-6-7-18-8-11(12,13)14/h9,15H,4-8H2,1-3H3
InChIKeyWKBPJAVLFFRQEB-UHFFFAOYSA-N
MW270.30 g/mol
LogP1.41
Rot. Bonds8

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

N,N-diethyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide (PubChem CID 55031854) has the molecular formula C11H21F3N2O2 and a molecular weight of 270.30 g/mol. Its IUPAC name is N,N-diethyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide.

Molecular Properties

Compound NameN,N-diethyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide
PubChem CID55031854
Molecular FormulaC11H21F3N2O2
Molecular Weight270.30 g/mol
Exact Mass270.16
IUPAC NameN,N-diethyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide
SMILESCCN(CC)C(=O)C(C)NCCOCC(F)(F)F
InChIInChI=1S/C11H21F3N2O2/c1-4-16(5-2)10(17)9(3)15-6-7-18-8-11(12,13)14/h9,15H,4-8H2,1-3H3
InChIKeyWKBPJAVLFFRQEB-UHFFFAOYSA-N
XLogP1.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N,N-diethyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methoxyethyl)-2-(4-methylpiperazin-1-yl)propanamide
CID 3229463
N-butan-2-yl-2-morpholin-4-ylacetamide
CID 17634927
N-[2-(diethylamino)ethyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 47031323
N-[2-(dimethylamino)ethyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 47031333
Ethyl (2S)-2-[(2S)-2-aminopropanamido]propanoate
CID 14331237
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
N-[1-[(2S)-2-methylmorpholin-4-yl]-1-oxopropan-2-yl]acetamide
CID 128537882
Butyl N-(trifluoroacetyl)-alpha-aminobutyrate
CID 535338
Ethyl 3,3,3-trifluoro-2-(propanoylamino)propanoate
CID 4341681
2-amino-N-(1,1-difluoro-2-propan-2-yloxyethyl)propanamide
CID 57700797
2,2,2-trifluoro-N-methyl-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]acetamide
CID 58007240

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide?
The IUPAC name of N,N-diethyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide (CID 55031854) is N,N-diethyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide.
What is the SMILES notation for N,N-diethyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide?
The canonical SMILES for N,N-diethyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide is CCN(CC)C(=O)C(C)NCCOCC(F)(F)F.
What is the InChIKey of N,N-diethyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide?
The InChIKey is WKBPJAVLFFRQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O2/c1-4-16(5-2)10(17)9(3)15-6-7-18-8-11(12,13)14/h9,15H,4-8H2,1-3H3.
What are the key properties of N,N-diethyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide?
N,N-diethyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide has a molecular weight of 270.30 g/mol, XLogP of 1.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide is sourced from PubChem (CID 55031854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).