2,2-dimethyl-N-[2-oxo-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]ethyl]propanamide

C10H17F3N2O3 — CID 103723244

IUPAC2,2-dimethyl-N-[2-oxo-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]ethyl]propanamide
SMILESCC(C)(C)C(=O)NCC(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C10H17F3N2O3/c1-9(2,3)8(18)15-5-7(17)14-4-6(16)10(11,12)13/h6,16H,4-5H2,1-3H3,(H,14,17)(H,15,18)
InChIKeySXDAHIXOPFMIKH-UHFFFAOYSA-N
MW270.25 g/mol
LogP0.19
Rot. Bonds4

About 2,2-dimethyl-N-[2-oxo-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]ethyl]propanamide

2,2-dimethyl-N-[2-oxo-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]ethyl]propanamide (PubChem CID 103723244) has the molecular formula C10H17F3N2O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-oxo-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]ethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-oxo-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]ethyl]propanamide
PubChem CID103723244
Molecular FormulaC10H17F3N2O3
Molecular Weight270.25 g/mol
Exact Mass270.12
IUPAC Name2,2-dimethyl-N-[2-oxo-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]ethyl]propanamide
SMILESCC(C)(C)C(=O)NCC(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C10H17F3N2O3/c1-9(2,3)8(18)15-5-7(17)14-4-6(16)10(11,12)13/h6,16H,4-5H2,1-3H3,(H,14,17)(H,15,18)
InChIKeySXDAHIXOPFMIKH-UHFFFAOYSA-N
XLogP0.19
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamido-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103726360
N-[2-[[(2R)-2-hydroxy-3-methylbutyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 97078266
2,2-dimethyl-N-[2-[(3-methyl-2-propan-2-ylbutyl)amino]-2-oxoethyl]propanamide
CID 102914880
2-(2,2,2-trifluoroethylamino)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103726464
2-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103881683
2-amino-3,3,3-trifluoro-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 114093542
N-[2-[(2-hydroxy-2-phenylethyl)amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 43416331
3-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 103726141
3-[[[2-(2,2-dimethylpropanoylamino)acetyl]amino]methyl]-5-methylhexanoic acid
CID 65493920
2-cycloheptyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 113252022
2-bromo-N-[2-oxo-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]ethyl]benzamide
CID 103726174
2-methyl-2-phenyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 103730656

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-oxo-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]ethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-oxo-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]ethyl]propanamide (CID 103723244) is 2,2-dimethyl-N-[2-oxo-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]ethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-oxo-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]ethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-oxo-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]ethyl]propanamide is CC(C)(C)C(=O)NCC(=O)NCC(O)C(F)(F)F.
What is the InChIKey of 2,2-dimethyl-N-[2-oxo-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]ethyl]propanamide?
The InChIKey is SXDAHIXOPFMIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O3/c1-9(2,3)8(18)15-5-7(17)14-4-6(16)10(11,12)13/h6,16H,4-5H2,1-3H3,(H,14,17)(H,15,18).
What are the key properties of 2,2-dimethyl-N-[2-oxo-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]ethyl]propanamide?
2,2-dimethyl-N-[2-oxo-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]ethyl]propanamide has a molecular weight of 270.25 g/mol, XLogP of 0.19, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-oxo-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]ethyl]propanamide is sourced from PubChem (CID 103723244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).