N-(1-bromo-3-methylpentan-3-yl)-2-propan-2-yloxyacetamide

C11H22BrNO2 — CID 106169037

IUPACN-(1-bromo-3-methylpentan-3-yl)-2-propan-2-yloxyacetamide
SMILESCCC(C)(CCBr)NC(=O)COC(C)C
InChIInChI=1S/C11H22BrNO2/c1-5-11(4,6-7-12)13-10(14)8-15-9(2)3/h9H,5-8H2,1-4H3,(H,13,14)
InChIKeyNQXHHDJLGQIFSB-UHFFFAOYSA-N
MW280.21 g/mol
LogP2.48
Rot. Bonds7

About N-(1-bromo-3-methylpentan-3-yl)-2-propan-2-yloxyacetamide

N-(1-bromo-3-methylpentan-3-yl)-2-propan-2-yloxyacetamide (PubChem CID 106169037) has the molecular formula C11H22BrNO2 and a molecular weight of 280.21 g/mol. Its IUPAC name is N-(1-bromo-3-methylpentan-3-yl)-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-(1-bromo-3-methylpentan-3-yl)-2-propan-2-yloxyacetamide
PubChem CID106169037
Molecular FormulaC11H22BrNO2
Molecular Weight280.21 g/mol
Exact Mass279.08
IUPAC NameN-(1-bromo-3-methylpentan-3-yl)-2-propan-2-yloxyacetamide
SMILESCCC(C)(CCBr)NC(=O)COC(C)C
InChIInChI=1S/C11H22BrNO2/c1-5-11(4,6-7-12)13-10(14)8-15-9(2)3/h9H,5-8H2,1-4H3,(H,13,14)
InChIKeyNQXHHDJLGQIFSB-UHFFFAOYSA-N
XLogP2.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.21
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[3-(bromomethyl)pentan-3-yl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212548
N-(1-bromo-3-methylpentan-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 106169723
N-(2-methylpentan-2-yl)-2-propan-2-yloxyacetamide
CID 49365405
2-(2-amino-2-ethylbutoxy)-N-tert-butylpropanamide
CID 64572079
2-(2-amino-2-ethylbutoxy)-N-(2-methylbutan-2-yl)propanamide
CID 64573578
2-ethoxy-N-(3-ethylpentan-3-yl)acetamide
CID 65042924
N-(1,3-dibromo-2-methylpropan-2-yl)-2-ethoxyacetamide
CID 81967655
N-(3-methylpentan-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103943141
N-(1-bromo-3-methylpentan-3-yl)-1,4-dioxane-2-carboxamide
CID 106168971
N-(1-bromo-3-methylpentan-3-yl)-2-ethoxyacetamide
CID 106168973
N-(1-bromo-3-methylpentan-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 106169162
N-(1-bromo-3-methylpentan-3-yl)-2-propoxyacetamide
CID 106169171

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-3-methylpentan-3-yl)-2-propan-2-yloxyacetamide?
The IUPAC name of N-(1-bromo-3-methylpentan-3-yl)-2-propan-2-yloxyacetamide (CID 106169037) is N-(1-bromo-3-methylpentan-3-yl)-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-(1-bromo-3-methylpentan-3-yl)-2-propan-2-yloxyacetamide?
The canonical SMILES for N-(1-bromo-3-methylpentan-3-yl)-2-propan-2-yloxyacetamide is CCC(C)(CCBr)NC(=O)COC(C)C.
What is the InChIKey of N-(1-bromo-3-methylpentan-3-yl)-2-propan-2-yloxyacetamide?
The InChIKey is NQXHHDJLGQIFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrNO2/c1-5-11(4,6-7-12)13-10(14)8-15-9(2)3/h9H,5-8H2,1-4H3,(H,13,14).
What are the key properties of N-(1-bromo-3-methylpentan-3-yl)-2-propan-2-yloxyacetamide?
N-(1-bromo-3-methylpentan-3-yl)-2-propan-2-yloxyacetamide has a molecular weight of 280.21 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-3-methylpentan-3-yl)-2-propan-2-yloxyacetamide is sourced from PubChem (CID 106169037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).