N-[2-(bromomethyl)-2-ethylbutyl]-2-ethoxyacetamide

C11H22BrNO2 — CID 106254886

IUPACN-[2-(bromomethyl)-2-ethylbutyl]-2-ethoxyacetamide
SMILESCCOCC(=O)NCC(CC)(CC)CBr
InChIInChI=1S/C11H22BrNO2/c1-4-11(5-2,8-12)9-13-10(14)7-15-6-3/h4-9H2,1-3H3,(H,13,14)
InChIKeyQMQNQYCSNULIEG-UHFFFAOYSA-N
MW280.21 g/mol
LogP2.34
Rot. Bonds8

About N-[2-(bromomethyl)-2-ethylbutyl]-2-ethoxyacetamide

N-[2-(bromomethyl)-2-ethylbutyl]-2-ethoxyacetamide (PubChem CID 106254886) has the molecular formula C11H22BrNO2 and a molecular weight of 280.21 g/mol. Its IUPAC name is N-[2-(bromomethyl)-2-ethylbutyl]-2-ethoxyacetamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)-2-ethylbutyl]-2-ethoxyacetamide
PubChem CID106254886
Molecular FormulaC11H22BrNO2
Molecular Weight280.21 g/mol
Exact Mass279.08
IUPAC NameN-[2-(bromomethyl)-2-ethylbutyl]-2-ethoxyacetamide
SMILESCCOCC(=O)NCC(CC)(CC)CBr
InChIInChI=1S/C11H22BrNO2/c1-4-11(5-2,8-12)9-13-10(14)7-15-6-3/h4-9H2,1-3H3,(H,13,14)
InChIKeyQMQNQYCSNULIEG-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
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-bromo-2,2-dimethylpropyl)-2-ethoxyacetamide
CID 115364825
N-[2-(bromomethyl)-2-ethylbutyl]-3,3-dimethylbutanamide
CID 106254765
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-propoxyacetamide
CID 103843568
N-(2-amino-2-ethylbutyl)-2-ethoxyacetamide;hydrochloride
CID 119642392
N-(2-amino-2-methylpropyl)-2-(2-ethoxyethoxy)acetamide
CID 119626722
N-(1-bromo-2-methylpropan-2-yl)-2-ethoxyacetamide
CID 114308041
2-ethoxy-N-(2,2,3,3-tetrafluoropropyl)acetamide
CID 103528809
N-(4-chloro-2,2-dimethylbutyl)-2-ethoxyacetamide
CID 106143075
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 113331571
2-[2-(2-ethoxyethoxy)ethoxy]-N-(2-methyl-2-sulfanylpropyl)acetamide
CID 175791265
ethane;2-ethoxy-N-[2-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 142043663
N-[2-[(2-bromoacetyl)amino]ethyl]-2-(2-ethoxyethoxy)acetamide
CID 90261180

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)-2-ethylbutyl]-2-ethoxyacetamide?
The IUPAC name of N-[2-(bromomethyl)-2-ethylbutyl]-2-ethoxyacetamide (CID 106254886) is N-[2-(bromomethyl)-2-ethylbutyl]-2-ethoxyacetamide.
What is the SMILES notation for N-[2-(bromomethyl)-2-ethylbutyl]-2-ethoxyacetamide?
The canonical SMILES for N-[2-(bromomethyl)-2-ethylbutyl]-2-ethoxyacetamide is CCOCC(=O)NCC(CC)(CC)CBr.
What is the InChIKey of N-[2-(bromomethyl)-2-ethylbutyl]-2-ethoxyacetamide?
The InChIKey is QMQNQYCSNULIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrNO2/c1-4-11(5-2,8-12)9-13-10(14)7-15-6-3/h4-9H2,1-3H3,(H,13,14).
What are the key properties of N-[2-(bromomethyl)-2-ethylbutyl]-2-ethoxyacetamide?
N-[2-(bromomethyl)-2-ethylbutyl]-2-ethoxyacetamide has a molecular weight of 280.21 g/mol, XLogP of 2.34, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bromomethyl)-2-ethylbutyl]-2-ethoxyacetamide is sourced from PubChem (CID 106254886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).