N-(1-bromo-3-methylpentan-3-yl)-2-propoxyacetamide

C11H22BrNO2 — CID 106169171

IUPACN-(1-bromo-3-methylpentan-3-yl)-2-propoxyacetamide
SMILESCCCOCC(=O)NC(C)(CC)CCBr
InChIInChI=1S/C11H22BrNO2/c1-4-8-15-9-10(14)13-11(3,5-2)6-7-12/h4-9H2,1-3H3,(H,13,14)
InChIKeyFEESASTZTOIFMH-UHFFFAOYSA-N
MW280.21 g/mol
LogP2.48
Rot. Bonds8

About N-(1-bromo-3-methylpentan-3-yl)-2-propoxyacetamide

N-(1-bromo-3-methylpentan-3-yl)-2-propoxyacetamide (PubChem CID 106169171) 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-propoxyacetamide.

Molecular Properties

Compound NameN-(1-bromo-3-methylpentan-3-yl)-2-propoxyacetamide
PubChem CID106169171
Molecular FormulaC11H22BrNO2
Molecular Weight280.21 g/mol
Exact Mass279.08
IUPAC NameN-(1-bromo-3-methylpentan-3-yl)-2-propoxyacetamide
SMILESCCCOCC(=O)NC(C)(CC)CCBr
InChIInChI=1S/C11H22BrNO2/c1-4-8-15-9-10(14)13-11(3,5-2)6-7-12/h4-9H2,1-3H3,(H,13,14)
InChIKeyFEESASTZTOIFMH-UHFFFAOYSA-N
XLogP2.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(1-bromo-2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212538
N-[3-(bromomethyl)pentan-3-yl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212548
N-(4-bromo-2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212765
N-(3-bromo-2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212781
N-(1-bromo-3-methylpentan-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 106169723
N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 107867974
2-ethoxy-N-(2-methylbutan-2-yl)acetamide
CID 60654713
2-(2-amino-2-ethylbutoxy)-N-(2-methylbutan-2-yl)acetamide
CID 64573354
N-(3-ethylpentan-3-yl)-2-methoxyacetamide
CID 65042824
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

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-3-methylpentan-3-yl)-2-propoxyacetamide?
The IUPAC name of N-(1-bromo-3-methylpentan-3-yl)-2-propoxyacetamide (CID 106169171) is N-(1-bromo-3-methylpentan-3-yl)-2-propoxyacetamide.
What is the SMILES notation for N-(1-bromo-3-methylpentan-3-yl)-2-propoxyacetamide?
The canonical SMILES for N-(1-bromo-3-methylpentan-3-yl)-2-propoxyacetamide is CCCOCC(=O)NC(C)(CC)CCBr.
What is the InChIKey of N-(1-bromo-3-methylpentan-3-yl)-2-propoxyacetamide?
The InChIKey is FEESASTZTOIFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrNO2/c1-4-8-15-9-10(14)13-11(3,5-2)6-7-12/h4-9H2,1-3H3,(H,13,14).
What are the key properties of N-(1-bromo-3-methylpentan-3-yl)-2-propoxyacetamide?
N-(1-bromo-3-methylpentan-3-yl)-2-propoxyacetamide has a molecular weight of 280.21 g/mol, XLogP of 2.48, 8 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-propoxyacetamide is sourced from PubChem (CID 106169171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).