2,2-dimethyl-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]propanamide

C9H15F3N2O2 — CID 108537712

IUPAC2,2-dimethyl-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]propanamide
SMILESCC(C)(C)C(=O)NCCNC(=O)C(F)(F)F
InChIInChI=1S/C9H15F3N2O2/c1-8(2,3)6(15)13-4-5-14-7(16)9(10,11)12/h4-5H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyQVEYFBGIQALOPI-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.83
Rot. Bonds3

About 2,2-dimethyl-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]propanamide

2,2-dimethyl-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]propanamide (PubChem CID 108537712) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]propanamide
PubChem CID108537712
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name2,2-dimethyl-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]propanamide
SMILESCC(C)(C)C(=O)NCCNC(=O)C(F)(F)F
InChIInChI=1S/C9H15F3N2O2/c1-8(2,3)6(15)13-4-5-14-7(16)9(10,11)12/h4-5H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyQVEYFBGIQALOPI-UHFFFAOYSA-N
XLogP0.83
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)-2,2-dimethylpropanamide
CID 15074197
N-[2-(2,2-dimethylpropanoylamino)ethyl]-4,4-dimethylpentanamide
CID 155054535
2-[(2,2,2-trifluoroacetyl)amino]ethylazanium
CID 36688932
N-ethyl-2,2,2-trifluoroacetamide
CID 581108
2,2-dimethyl-N-[2-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]ethyl]propanamide
CID 109471271
N-(2-aminoethyl)-2,2-dimethylpropanamide;hydrochloride
CID 47002886
2,2,2-trifluoro-N-icosylacetamide
CID 91692791
N-(3-methoxypropyl)-2,2-dimethylpropanamide
CID 4152468
N-dodecyl-2-(18F)fluoro-2,2-difluoroacetamide
CID 177484696
2,2-dimethyl-N-(3,4,4-trifluorobut-3-enyl)propanamide
CID 19380004
N,N-dimethyl-3-[(2,2,2-trifluoroacetyl)amino]propanamide
CID 62647345
dimethyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]sulfanium
CID 172843562

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]propanamide (CID 108537712) is 2,2-dimethyl-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]propanamide is CC(C)(C)C(=O)NCCNC(=O)C(F)(F)F.
What is the InChIKey of 2,2-dimethyl-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]propanamide?
The InChIKey is QVEYFBGIQALOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c1-8(2,3)6(15)13-4-5-14-7(16)9(10,11)12/h4-5H2,1-3H3,(H,13,15)(H,14,16).
What are the key properties of 2,2-dimethyl-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]propanamide?
2,2-dimethyl-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]propanamide has a molecular weight of 240.22 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]propanamide is sourced from PubChem (CID 108537712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).