N-[3-(bromomethyl)pentan-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide

C12H24BrNO2 — CID 112604183

IUPACN-[3-(bromomethyl)pentan-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCCC(CC)(CBr)NC(=O)COC(C)(C)C
InChIInChI=1S/C12H24BrNO2/c1-6-12(7-2,9-13)14-10(15)8-16-11(3,4)5/h6-9H2,1-5H3,(H,14,15)
InChIKeyUATQKGDVOFSZRE-UHFFFAOYSA-N
MW294.23 g/mol
LogP2.87
Rot. Bonds6

About N-[3-(bromomethyl)pentan-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide

N-[3-(bromomethyl)pentan-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 112604183) has the molecular formula C12H24BrNO2 and a molecular weight of 294.23 g/mol. Its IUPAC name is N-[3-(bromomethyl)pentan-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-[3-(bromomethyl)pentan-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID112604183
Molecular FormulaC12H24BrNO2
Molecular Weight294.23 g/mol
Exact Mass293.10
IUPAC NameN-[3-(bromomethyl)pentan-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCCC(CC)(CBr)NC(=O)COC(C)(C)C
InChIInChI=1S/C12H24BrNO2/c1-6-12(7-2,9-13)14-10(15)8-16-11(3,4)5/h6-9H2,1-5H3,(H,14,15)
InChIKeyUATQKGDVOFSZRE-UHFFFAOYSA-N
XLogP2.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 52.87
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
2-ethoxy-N-(3-ethylpentan-3-yl)acetamide
CID 65042924
N-(1,3-dibromo-2-methylpropan-2-yl)-2-ethoxyacetamide
CID 81967655
N-(3-ethylpentan-3-yl)-2-methoxy-2-methylpropanamide
CID 103029185
N-(3-methylpentan-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103943141
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-(1-bromo-3-methylpentan-3-yl)-2-(2-methoxyethoxy)acetamide
CID 106169477
N-[4-(bromomethyl)oxan-4-yl]-2-ethoxyacetamide
CID 106300891

Frequently Asked Questions

What is the IUPAC name of N-[3-(bromomethyl)pentan-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-[3-(bromomethyl)pentan-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 112604183) is N-[3-(bromomethyl)pentan-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-[3-(bromomethyl)pentan-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-[3-(bromomethyl)pentan-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide is CCC(CC)(CBr)NC(=O)COC(C)(C)C.
What is the InChIKey of N-[3-(bromomethyl)pentan-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is UATQKGDVOFSZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24BrNO2/c1-6-12(7-2,9-13)14-10(15)8-16-11(3,4)5/h6-9H2,1-5H3,(H,14,15).
What are the key properties of N-[3-(bromomethyl)pentan-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-[3-(bromomethyl)pentan-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 294.23 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(bromomethyl)pentan-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 112604183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).