2-(butan-2-ylamino)-N-(2,2-difluoro-3-hydroxypropyl)acetamide

C9H18F2N2O2 — CID 106176989

IUPAC2-(butan-2-ylamino)-N-(2,2-difluoro-3-hydroxypropyl)acetamide
SMILESCCC(C)NCC(=O)NCC(F)(F)CO
InChIInChI=1S/C9H18F2N2O2/c1-3-7(2)12-4-8(15)13-5-9(10,11)6-14/h7,12,14H,3-6H2,1-2H3,(H,13,15)
InChIKeyVJWSFZGUEVXINL-UHFFFAOYSA-N
MW224.25 g/mol
LogP0.12
Rot. Bonds7

About 2-(butan-2-ylamino)-N-(2,2-difluoro-3-hydroxypropyl)acetamide

2-(butan-2-ylamino)-N-(2,2-difluoro-3-hydroxypropyl)acetamide (PubChem CID 106176989) has the molecular formula C9H18F2N2O2 and a molecular weight of 224.25 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-N-(2,2-difluoro-3-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-N-(2,2-difluoro-3-hydroxypropyl)acetamide
PubChem CID106176989
Molecular FormulaC9H18F2N2O2
Molecular Weight224.25 g/mol
Exact Mass224.13
IUPAC Name2-(butan-2-ylamino)-N-(2,2-difluoro-3-hydroxypropyl)acetamide
SMILESCCC(C)NCC(=O)NCC(F)(F)CO
InChIInChI=1S/C9H18F2N2O2/c1-3-7(2)12-4-8(15)13-5-9(10,11)6-14/h7,12,14H,3-6H2,1-2H3,(H,13,15)
InChIKeyVJWSFZGUEVXINL-UHFFFAOYSA-N
XLogP0.12
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2S)-butan-2-yl]amino]-N-[2-[[2-[[(2R)-butan-2-yl]amino]acetyl]amino]ethyl]acetamide
CID 26058062
3-[[2-(butan-2-ylamino)acetyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66175333
N-(2,2-difluoro-3-hydroxypropyl)-3-oxobutanamide
CID 106173501
2-(butan-2-ylamino)-N-(2-methylbutyl)acetamide
CID 62691817
2-(butan-2-ylamino)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide
CID 62521063
2-(4-methylpentan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 61492256
2-(butan-2-ylamino)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
CID 107865562
tert-butyl N-[3-(butan-2-ylamino)-2,2-difluoropropyl]carbamate
CID 104955597
N-ethyl-2-(4,4,4-trifluorobutan-2-ylamino)acetamide
CID 103776091
3-[[2-(butan-2-ylamino)acetyl]amino]-2-methylpropanoic acid
CID 62675191
2-(4-methoxybutan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 64604847
N-(2,2-difluoro-3-hydroxypropyl)-2-propoxyacetamide
CID 104858090

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-N-(2,2-difluoro-3-hydroxypropyl)acetamide?
The IUPAC name of 2-(butan-2-ylamino)-N-(2,2-difluoro-3-hydroxypropyl)acetamide (CID 106176989) is 2-(butan-2-ylamino)-N-(2,2-difluoro-3-hydroxypropyl)acetamide.
What is the SMILES notation for 2-(butan-2-ylamino)-N-(2,2-difluoro-3-hydroxypropyl)acetamide?
The canonical SMILES for 2-(butan-2-ylamino)-N-(2,2-difluoro-3-hydroxypropyl)acetamide is CCC(C)NCC(=O)NCC(F)(F)CO.
What is the InChIKey of 2-(butan-2-ylamino)-N-(2,2-difluoro-3-hydroxypropyl)acetamide?
The InChIKey is VJWSFZGUEVXINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2O2/c1-3-7(2)12-4-8(15)13-5-9(10,11)6-14/h7,12,14H,3-6H2,1-2H3,(H,13,15).
What are the key properties of 2-(butan-2-ylamino)-N-(2,2-difluoro-3-hydroxypropyl)acetamide?
2-(butan-2-ylamino)-N-(2,2-difluoro-3-hydroxypropyl)acetamide has a molecular weight of 224.25 g/mol, XLogP of 0.12, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-N-(2,2-difluoro-3-hydroxypropyl)acetamide is sourced from PubChem (CID 106176989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).