2-[(4-hydroxy-3-methylbutan-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide

C10H19F3N2O2 — CID 113484799

IUPAC2-[(4-hydroxy-3-methylbutan-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NC(C)C(C)CO)C(=O)NCC(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-6(4-16)7(2)15-8(3)9(17)14-5-10(11,12)13/h6-8,15-16H,4-5H2,1-3H3,(H,14,17)
InChIKeySJBJATSVVLZUEQ-UHFFFAOYSA-N
MW256.27 g/mol
LogP0.66
Rot. Bonds6

About 2-[(4-hydroxy-3-methylbutan-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide

2-[(4-hydroxy-3-methylbutan-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 113484799) has the molecular formula C10H19F3N2O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is 2-[(4-hydroxy-3-methylbutan-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[(4-hydroxy-3-methylbutan-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID113484799
Molecular FormulaC10H19F3N2O2
Molecular Weight256.27 g/mol
Exact Mass256.14
IUPAC Name2-[(4-hydroxy-3-methylbutan-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NC(C)C(C)CO)C(=O)NCC(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-6(4-16)7(2)15-8(3)9(17)14-5-10(11,12)13/h6-8,15-16H,4-5H2,1-3H3,(H,14,17)
InChIKeySJBJATSVVLZUEQ-UHFFFAOYSA-N
XLogP0.66
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-bis[(2S)-1-hydroxy-3-methylbutan-2-yl]oxamide
CID 11149631
Ethanediamide, N,N'-bis[1-(hydroxymethyl)-2-methylpropyl]-
CID 11097312
N,N'-bis[(2R)-1-hydroxy-3-methylbutan-2-yl]oxamide
CID 87652155
2-methyl-N-(1,1,1-trifluoro-4-hydroxybutan-2-yl)propanamide
CID 132250257
2-[(1-hydroxy-4-methylpentan-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 54961948
N-ethyl-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide
CID 60278251
2-(1-hydroxybutan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60647274
2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 62022395
2-[3-(hydroxymethyl)pentan-3-ylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 62517442
2-[(1-hydroxy-2-methylbutan-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 64457675
2-[(3-hydroxy-2-methylpropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 65036394
2-[(4-hydroxy-2-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 66091400

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-3-methylbutan-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[(4-hydroxy-3-methylbutan-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide (CID 113484799) is 2-[(4-hydroxy-3-methylbutan-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[(4-hydroxy-3-methylbutan-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[(4-hydroxy-3-methylbutan-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide is CC(NC(C)C(C)CO)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-[(4-hydroxy-3-methylbutan-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is SJBJATSVVLZUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2/c1-6(4-16)7(2)15-8(3)9(17)14-5-10(11,12)13/h6-8,15-16H,4-5H2,1-3H3,(H,14,17).
What are the key properties of 2-[(4-hydroxy-3-methylbutan-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
2-[(4-hydroxy-3-methylbutan-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 256.27 g/mol, XLogP of 0.66, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-3-methylbutan-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 113484799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).