2-aminooxy-N-(2-methylbutan-2-yl)propanamide

C8H18N2O2 — CID 79426922

IUPAC2-aminooxy-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)ON
InChIInChI=1S/C8H18N2O2/c1-5-8(3,4)10-7(11)6(2)12-9/h6H,5,9H2,1-4H3,(H,10,11)
InChIKeyXKYRBJKAYBMUQL-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.57
Rot. Bonds4

About 2-aminooxy-N-(2-methylbutan-2-yl)propanamide

2-aminooxy-N-(2-methylbutan-2-yl)propanamide (PubChem CID 79426922) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 2-aminooxy-N-(2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-aminooxy-N-(2-methylbutan-2-yl)propanamide
PubChem CID79426922
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name2-aminooxy-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)ON
InChIInChI=1S/C8H18N2O2/c1-5-8(3,4)10-7(11)6(2)12-9/h6H,5,9H2,1-4H3,(H,10,11)
InChIKeyXKYRBJKAYBMUQL-UHFFFAOYSA-N
XLogP0.57
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl] acetate
CID 137320952
2-[(1-aminocycloheptyl)methoxy]-N-(2-methylbutan-2-yl)propanamide
CID 64548742
N-(2-methylbutan-2-yl)-2-(2-methylbutan-2-ylamino)propanamide
CID 43116529
2-[4-[(1S)-1-aminoethyl]phenoxy]-N-(2-methylbutan-2-yl)propanamide
CID 63367482
2-(ethylamino)-N-(2-methylbutan-2-yl)propanamide
CID 43112409
ethyl 2-[[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]-propan-2-ylamino]acetate
CID 62026624
(2R)-2-amino-N-(2-methylbutan-2-yl)pentanamide
CID 103793847
(2S)-5-amino-2-methyl-N-(2-methylbutan-2-yl)pentanamide
CID 143373195
2-(2-amino-4,5-dichlorophenoxy)-N-(2-methylbutan-2-yl)propanamide
CID 107497904
2-[1-aminopropan-2-yl(methyl)amino]-N-(2-methylbutan-2-yl)propanamide
CID 104556787
2-(2-aminopropylsulfinyl)-N-(2-methylbutan-2-yl)propanamide
CID 81189075
2-amino-N-(2-methylbutan-2-yl)butanediamide
CID 60849148

Frequently Asked Questions

What is the IUPAC name of 2-aminooxy-N-(2-methylbutan-2-yl)propanamide?
The IUPAC name of 2-aminooxy-N-(2-methylbutan-2-yl)propanamide (CID 79426922) is 2-aminooxy-N-(2-methylbutan-2-yl)propanamide.
What is the SMILES notation for 2-aminooxy-N-(2-methylbutan-2-yl)propanamide?
The canonical SMILES for 2-aminooxy-N-(2-methylbutan-2-yl)propanamide is CCC(C)(C)NC(=O)C(C)ON.
What is the InChIKey of 2-aminooxy-N-(2-methylbutan-2-yl)propanamide?
The InChIKey is XKYRBJKAYBMUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-5-8(3,4)10-7(11)6(2)12-9/h6H,5,9H2,1-4H3,(H,10,11).
What are the key properties of 2-aminooxy-N-(2-methylbutan-2-yl)propanamide?
2-aminooxy-N-(2-methylbutan-2-yl)propanamide has a molecular weight of 174.24 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminooxy-N-(2-methylbutan-2-yl)propanamide is sourced from PubChem (CID 79426922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).