4-methyl-2-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pentanamide

C11H18F3NO2 — CID 134570976

IUPAC4-methyl-2-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCC(C)CC(=O)C(=O)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C11H18F3NO2/c1-7(2)5-9(16)10(17)15(8(3)4)6-11(12,13)14/h7-8H,5-6H2,1-4H3
InChIKeyAURPSHYFTSDXRU-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.40
Rot. Bonds5

About 4-methyl-2-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pentanamide

4-methyl-2-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pentanamide (PubChem CID 134570976) has the molecular formula C11H18F3NO2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 4-methyl-2-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pentanamide.

Molecular Properties

Compound Name4-methyl-2-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pentanamide
PubChem CID134570976
Molecular FormulaC11H18F3NO2
Molecular Weight253.26 g/mol
Exact Mass253.13
IUPAC Name4-methyl-2-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCC(C)CC(=O)C(=O)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C11H18F3NO2/c1-7(2)5-9(16)10(17)15(8(3)4)6-11(12,13)14/h7-8H,5-6H2,1-4H3
InChIKeyAURPSHYFTSDXRU-UHFFFAOYSA-N
XLogP2.40
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 60770828
2,2,2-trifluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 64592645
2-(methylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 62636977
2-methyl-3-oxo-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 114897583
3-ethyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)urea
CID 115585947
(2S)-2-amino-3-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide
CID 61165092
(2S)-2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide
CID 79024502
(2R)-2-amino-3,3-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide
CID 103929257
2-ethylsulfinyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 75427200
4-hydroxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 55009058
3-(2-methylpropyl)-1-propan-2-yl-1-(2,2,2-trifluoroethyl)thiourea
CID 116507912
2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]-propan-2-ylamino]acetic acid
CID 61204584

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pentanamide?
The IUPAC name of 4-methyl-2-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pentanamide (CID 134570976) is 4-methyl-2-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pentanamide.
What is the SMILES notation for 4-methyl-2-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pentanamide?
The canonical SMILES for 4-methyl-2-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pentanamide is CC(C)CC(=O)C(=O)N(CC(F)(F)F)C(C)C.
What is the InChIKey of 4-methyl-2-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pentanamide?
The InChIKey is AURPSHYFTSDXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO2/c1-7(2)5-9(16)10(17)15(8(3)4)6-11(12,13)14/h7-8H,5-6H2,1-4H3.
What are the key properties of 4-methyl-2-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pentanamide?
4-methyl-2-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pentanamide has a molecular weight of 253.26 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pentanamide is sourced from PubChem (CID 134570976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).