4-acetamido-2,2-difluoro-3-hydroxy-5-methyl-N-propylhexanamide

C12H22F2N2O3 — CID 54545483

IUPAC4-acetamido-2,2-difluoro-3-hydroxy-5-methyl-N-propylhexanamide
SMILESCCCNC(=O)C(F)(F)C(O)C(NC(C)=O)C(C)C
InChIInChI=1S/C12H22F2N2O3/c1-5-6-15-11(19)12(13,14)10(18)9(7(2)3)16-8(4)17/h7,9-10,18H,5-6H2,1-4H3,(H,15,19)(H,16,17)
InChIKeyZGGFPIZEKLDXJR-UHFFFAOYSA-N
MW280.31 g/mol
LogP0.67
Rot. Bonds7

About 4-acetamido-2,2-difluoro-3-hydroxy-5-methyl-N-propylhexanamide

4-acetamido-2,2-difluoro-3-hydroxy-5-methyl-N-propylhexanamide (PubChem CID 54545483) has the molecular formula C12H22F2N2O3 and a molecular weight of 280.31 g/mol. Its IUPAC name is 4-acetamido-2,2-difluoro-3-hydroxy-5-methyl-N-propylhexanamide.

Molecular Properties

Compound Name4-acetamido-2,2-difluoro-3-hydroxy-5-methyl-N-propylhexanamide
PubChem CID54545483
Molecular FormulaC12H22F2N2O3
Molecular Weight280.31 g/mol
Exact Mass280.16
IUPAC Name4-acetamido-2,2-difluoro-3-hydroxy-5-methyl-N-propylhexanamide
SMILESCCCNC(=O)C(F)(F)C(O)C(NC(C)=O)C(C)C
InChIInChI=1S/C12H22F2N2O3/c1-5-6-15-11(19)12(13,14)10(18)9(7(2)3)16-8(4)17/h7,9-10,18H,5-6H2,1-4H3,(H,15,19)(H,16,17)
InChIKeyZGGFPIZEKLDXJR-UHFFFAOYSA-N
XLogP0.67
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4S)-2,2-difluoro-3-hydroxy-N,6-dimethyl-4-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]heptanamide
CID 444343
(4R)-2,2-difluoro-3-hydroxy-N,6-dimethyl-4-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]heptanamide
CID 90662964
2,2-difluoro-3-hydroxy-4-methyl-N-propan-2-ylpentanamide
CID 16090039
(3R,4S)-4-amino-2,2-difluoro-3-hydroxy-5-methyl-N-propylhexanamide
CID 10490109
(3R,4S)-4-amino-2,2-difluoro-3-hydroxy-N,5-dimethylhexanamide
CID 10846113
4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxy-N-(2-methylpropyl)pentanamide
CID 14277664
N-(4-amino-2,2-difluoro-3-hydroxy-5-methylhexyl)acetamide
CID 14720108
4-amino-2,2-difluoro-3-hydroxy-N,N-dimethylhexanamide
CID 21030998
(4S)-4-amino-2,2-difluoro-3-hydroxy-5-methyl-N-propylhexanamide;hydrochloride
CID 22849256
(4S)-4-amino-2,2-difluoro-3-hydroxy-5-methyl-N-propylhexanamide
CID 22849257
4-amino-2,2-difluoro-3-hydroxy-6-methyl-N-[1-(3-methylbutylamino)-1-oxopropan-2-yl]heptanamide
CID 53913810
(4R,5S)-5-ethyl-3,3-difluoro-4-hydroxypyrrolidin-2-one
CID 57577519

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-2,2-difluoro-3-hydroxy-5-methyl-N-propylhexanamide?
The IUPAC name of 4-acetamido-2,2-difluoro-3-hydroxy-5-methyl-N-propylhexanamide (CID 54545483) is 4-acetamido-2,2-difluoro-3-hydroxy-5-methyl-N-propylhexanamide.
What is the SMILES notation for 4-acetamido-2,2-difluoro-3-hydroxy-5-methyl-N-propylhexanamide?
The canonical SMILES for 4-acetamido-2,2-difluoro-3-hydroxy-5-methyl-N-propylhexanamide is CCCNC(=O)C(F)(F)C(O)C(NC(C)=O)C(C)C.
What is the InChIKey of 4-acetamido-2,2-difluoro-3-hydroxy-5-methyl-N-propylhexanamide?
The InChIKey is ZGGFPIZEKLDXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2O3/c1-5-6-15-11(19)12(13,14)10(18)9(7(2)3)16-8(4)17/h7,9-10,18H,5-6H2,1-4H3,(H,15,19)(H,16,17).
What are the key properties of 4-acetamido-2,2-difluoro-3-hydroxy-5-methyl-N-propylhexanamide?
4-acetamido-2,2-difluoro-3-hydroxy-5-methyl-N-propylhexanamide has a molecular weight of 280.31 g/mol, XLogP of 0.67, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-2,2-difluoro-3-hydroxy-5-methyl-N-propylhexanamide is sourced from PubChem (CID 54545483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).