2-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-methylpentanamide

C9H18F2N2O2 — CID 106176696

IUPAC2-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-methylpentanamide
SMILESCC(C)CC(N)C(=O)NCC(F)(F)CO
InChIInChI=1S/C9H18F2N2O2/c1-6(2)3-7(12)8(15)13-4-9(10,11)5-14/h6-7,14H,3-5,12H2,1-2H3,(H,13,15)
InChIKeyHLXKUNMPDWYWMI-UHFFFAOYSA-N
MW224.25 g/mol
LogP0.10
Rot. Bonds6

About 2-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-methylpentanamide

2-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-methylpentanamide (PubChem CID 106176696) has the molecular formula C9H18F2N2O2 and a molecular weight of 224.25 g/mol. Its IUPAC name is 2-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-methylpentanamide
PubChem CID106176696
Molecular FormulaC9H18F2N2O2
Molecular Weight224.25 g/mol
Exact Mass224.13
IUPAC Name2-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-methylpentanamide
SMILESCC(C)CC(N)C(=O)NCC(F)(F)CO
InChIInChI=1S/C9H18F2N2O2/c1-6(2)3-7(12)8(15)13-4-9(10,11)5-14/h6-7,14H,3-5,12H2,1-2H3,(H,13,15)
InChIKeyHLXKUNMPDWYWMI-UHFFFAOYSA-N
XLogP0.10
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-4-methyl-N-(2,2,3,3-tetrafluoropropyl)pentanamide
CID 106291529
(2R)-2-amino-4-methyl-N-(2,2,3,3-tetrafluoropropyl)pentanamide
CID 106291723
2-amino-N-(2-hydroxy-2-methylpropyl)-4-methylpentanamide
CID 65107509
(2S)-2-amino-N-(2,2-dimethylpropyl)-4-methylpentanamide;hydrochloride
CID 119709105
(2R)-2-amino-4-methyl-N-(3,3,3-trifluoropropyl)pentanamide
CID 104903471
2-amino-N-(2,2-difluoro-3-hydroxypropyl)pent-4-enamide
CID 106176820
(2R)-2-amino-N-(2-hydroxy-2,4-dimethylpentyl)-4-methylpentanamide
CID 104903660
2-amino-N-(2,2-dimethylbutyl)-4-methylpentanamide
CID 103461635
2-amino-N-(2-methoxy-2-methylpropyl)-4-methylpentanamide
CID 115739650
N-(2,2-difluoro-3-hydroxypropyl)-3-methyl-2-sulfanylbutanamide
CID 106173312
ethyl 2-amino-3-[(2,2-difluoro-3-hydroxypropyl)amino]-3-oxopropanoate
CID 106176979
methyl 3-[(2-amino-4-methylpentanoyl)amino]-2,2-dimethylpropanoate
CID 113266912

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-methylpentanamide?
The IUPAC name of 2-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-methylpentanamide (CID 106176696) is 2-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-methylpentanamide.
What is the SMILES notation for 2-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-methylpentanamide?
The canonical SMILES for 2-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-methylpentanamide is CC(C)CC(N)C(=O)NCC(F)(F)CO.
What is the InChIKey of 2-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-methylpentanamide?
The InChIKey is HLXKUNMPDWYWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2O2/c1-6(2)3-7(12)8(15)13-4-9(10,11)5-14/h6-7,14H,3-5,12H2,1-2H3,(H,13,15).
What are the key properties of 2-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-methylpentanamide?
2-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-methylpentanamide has a molecular weight of 224.25 g/mol, XLogP of 0.10, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-methylpentanamide is sourced from PubChem (CID 106176696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).