N-(1-bromo-3-methylpentan-3-yl)-2-(2-methoxyethoxy)acetamide

C11H22BrNO3 — CID 106169477

IUPACN-(1-bromo-3-methylpentan-3-yl)-2-(2-methoxyethoxy)acetamide
SMILESCCC(C)(CCBr)NC(=O)COCCOC
InChIInChI=1S/C11H22BrNO3/c1-4-11(2,5-6-12)13-10(14)9-16-8-7-15-3/h4-9H2,1-3H3,(H,13,14)
InChIKeyGUTAPZBTBGSFCC-UHFFFAOYSA-N
MW296.21 g/mol
LogP1.72
Rot. Bonds9

About N-(1-bromo-3-methylpentan-3-yl)-2-(2-methoxyethoxy)acetamide

N-(1-bromo-3-methylpentan-3-yl)-2-(2-methoxyethoxy)acetamide (PubChem CID 106169477) has the molecular formula C11H22BrNO3 and a molecular weight of 296.21 g/mol. Its IUPAC name is N-(1-bromo-3-methylpentan-3-yl)-2-(2-methoxyethoxy)acetamide.

Molecular Properties

Compound NameN-(1-bromo-3-methylpentan-3-yl)-2-(2-methoxyethoxy)acetamide
PubChem CID106169477
Molecular FormulaC11H22BrNO3
Molecular Weight296.21 g/mol
Exact Mass295.08
IUPAC NameN-(1-bromo-3-methylpentan-3-yl)-2-(2-methoxyethoxy)acetamide
SMILESCCC(C)(CCBr)NC(=O)COCCOC
InChIInChI=1S/C11H22BrNO3/c1-4-11(2,5-6-12)13-10(14)9-16-8-7-15-3/h4-9H2,1-3H3,(H,13,14)
InChIKeyGUTAPZBTBGSFCC-UHFFFAOYSA-N
XLogP1.72
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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
2-ethoxy-N-(3-ethylpentan-3-yl)acetamide
CID 65042924
N-(1,3-dibromo-2-methylpropan-2-yl)-2-ethoxyacetamide
CID 81967655
2-(2-methoxyethoxy)-N-(2-methylbutan-2-yl)acetamide
CID 103601636
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-propan-2-yloxyacetamide
CID 106169037
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
N-[4-(bromomethyl)oxan-4-yl]-2-ethoxyacetamide
CID 106300891
N-[4-(bromomethyl)oxan-4-yl]-2-propan-2-yloxyacetamide
CID 106300949

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-3-methylpentan-3-yl)-2-(2-methoxyethoxy)acetamide?
The IUPAC name of N-(1-bromo-3-methylpentan-3-yl)-2-(2-methoxyethoxy)acetamide (CID 106169477) is N-(1-bromo-3-methylpentan-3-yl)-2-(2-methoxyethoxy)acetamide.
What is the SMILES notation for N-(1-bromo-3-methylpentan-3-yl)-2-(2-methoxyethoxy)acetamide?
The canonical SMILES for N-(1-bromo-3-methylpentan-3-yl)-2-(2-methoxyethoxy)acetamide is CCC(C)(CCBr)NC(=O)COCCOC.
What is the InChIKey of N-(1-bromo-3-methylpentan-3-yl)-2-(2-methoxyethoxy)acetamide?
The InChIKey is GUTAPZBTBGSFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrNO3/c1-4-11(2,5-6-12)13-10(14)9-16-8-7-15-3/h4-9H2,1-3H3,(H,13,14).
What are the key properties of N-(1-bromo-3-methylpentan-3-yl)-2-(2-methoxyethoxy)acetamide?
N-(1-bromo-3-methylpentan-3-yl)-2-(2-methoxyethoxy)acetamide has a molecular weight of 296.21 g/mol, XLogP of 1.72, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-3-methylpentan-3-yl)-2-(2-methoxyethoxy)acetamide is sourced from PubChem (CID 106169477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).