4-(4-azido-2-methylbutan-2-yl)oxy-2,2-dimethylbutanamide

C11H22N4O2 — CID 166871024

IUPAC4-(4-azido-2-methylbutan-2-yl)oxy-2,2-dimethylbutanamide
SMILESCC(C)(CCN=[N+]=[N-])OCCC(C)(C)C(N)=O
InChIInChI=1S/C11H22N4O2/c1-10(2,9(12)16)6-8-17-11(3,4)5-7-14-15-13/h5-8H2,1-4H3,(H2,12,16)
InChIKeyTUIRAUWFEANXEY-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.38
Rot. Bonds8

About 4-(4-azido-2-methylbutan-2-yl)oxy-2,2-dimethylbutanamide

4-(4-azido-2-methylbutan-2-yl)oxy-2,2-dimethylbutanamide (PubChem CID 166871024) has the molecular formula C11H22N4O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-(4-azido-2-methylbutan-2-yl)oxy-2,2-dimethylbutanamide.

Molecular Properties

Compound Name4-(4-azido-2-methylbutan-2-yl)oxy-2,2-dimethylbutanamide
PubChem CID166871024
Molecular FormulaC11H22N4O2
Molecular Weight242.32 g/mol
Exact Mass242.17
IUPAC Name4-(4-azido-2-methylbutan-2-yl)oxy-2,2-dimethylbutanamide
SMILESCC(C)(CCN=[N+]=[N-])OCCC(C)(C)C(N)=O
InChIInChI=1S/C11H22N4O2/c1-10(2,9(12)16)6-8-17-11(3,4)5-7-14-15-13/h5-8H2,1-4H3,(H2,12,16)
InChIKeyTUIRAUWFEANXEY-UHFFFAOYSA-N
XLogP2.38
TPSA101.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

4-(4-azido-2-methylbutan-2-yl)oxy-2,2-dimethyl-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)butan-1-one
CID 166537592
ethyl 4-azido-2,2-dimethylbutanoate
CID 150968965
1-(2-azidoethyl)-3-[2-methyl-4-(2-methylhexan-2-yloxy)butan-2-yl]urea
CID 167239906
N-[2-(4-amino-3,3-dimethyl-4-oxobutoxy)-2-methylpropyl]-4-oxohept-5-ynamide
CID 154677980
2,2-bis(2-azidoethoxy)propane
CID 123614719
ethyl 4-azido-2-methyl-2-methylsulfonylbutanoate
CID 150773857
2-[2-methyl-4-(2,5,5-trimethyl-4-oxohexan-2-yl)oxybutan-2-yl]oxyacetamide
CID 88566213
3-[2-(2-aminoethoxy)-2-methylpropoxy]-N-(3-azidopropyl)-3-methylbutanamide
CID 126625243
2-[4-(4-ethyl-2,4-dimethylhexan-2-yl)oxy-2-methylbutan-2-yl]oxyacetamide
CID 135208298
azidomethyl hydrogen carbonate
CID 150627591
4-(2-hydroxyethoxy)-4-methylpentanamide
CID 167307614
4-azido-2,2-dimethylbutanal
CID 151597619

Frequently Asked Questions

What is the IUPAC name of 4-(4-azido-2-methylbutan-2-yl)oxy-2,2-dimethylbutanamide?
The IUPAC name of 4-(4-azido-2-methylbutan-2-yl)oxy-2,2-dimethylbutanamide (CID 166871024) is 4-(4-azido-2-methylbutan-2-yl)oxy-2,2-dimethylbutanamide.
What is the SMILES notation for 4-(4-azido-2-methylbutan-2-yl)oxy-2,2-dimethylbutanamide?
The canonical SMILES for 4-(4-azido-2-methylbutan-2-yl)oxy-2,2-dimethylbutanamide is CC(C)(CCN=[N+]=[N-])OCCC(C)(C)C(N)=O.
What is the InChIKey of 4-(4-azido-2-methylbutan-2-yl)oxy-2,2-dimethylbutanamide?
The InChIKey is TUIRAUWFEANXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2/c1-10(2,9(12)16)6-8-17-11(3,4)5-7-14-15-13/h5-8H2,1-4H3,(H2,12,16).
What are the key properties of 4-(4-azido-2-methylbutan-2-yl)oxy-2,2-dimethylbutanamide?
4-(4-azido-2-methylbutan-2-yl)oxy-2,2-dimethylbutanamide has a molecular weight of 242.32 g/mol, XLogP of 2.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-azido-2-methylbutan-2-yl)oxy-2,2-dimethylbutanamide is sourced from PubChem (CID 166871024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).