N-(3-bromo-2,2-dimethylpropyl)-2-ethoxyacetamide

C9H18BrNO2 — CID 115364825

IUPACN-(3-bromo-2,2-dimethylpropyl)-2-ethoxyacetamide
SMILESCCOCC(=O)NCC(C)(C)CBr
InChIInChI=1S/C9H18BrNO2/c1-4-13-5-8(12)11-7-9(2,3)6-10/h4-7H2,1-3H3,(H,11,12)
InChIKeyYUWKLHJKMLTHNB-UHFFFAOYSA-N
MW252.15 g/mol
LogP1.56
Rot. Bonds6

About N-(3-bromo-2,2-dimethylpropyl)-2-ethoxyacetamide

N-(3-bromo-2,2-dimethylpropyl)-2-ethoxyacetamide (PubChem CID 115364825) has the molecular formula C9H18BrNO2 and a molecular weight of 252.15 g/mol. Its IUPAC name is N-(3-bromo-2,2-dimethylpropyl)-2-ethoxyacetamide.

Molecular Properties

Compound NameN-(3-bromo-2,2-dimethylpropyl)-2-ethoxyacetamide
PubChem CID115364825
Molecular FormulaC9H18BrNO2
Molecular Weight252.15 g/mol
Exact Mass251.05
IUPAC NameN-(3-bromo-2,2-dimethylpropyl)-2-ethoxyacetamide
SMILESCCOCC(=O)NCC(C)(C)CBr
InChIInChI=1S/C9H18BrNO2/c1-4-13-5-8(12)11-7-9(2,3)6-10/h4-7H2,1-3H3,(H,11,12)
InChIKeyYUWKLHJKMLTHNB-UHFFFAOYSA-N
XLogP1.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.15
LogP ≤ 51.56
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-(4-chloro-2,2-dimethylbutyl)-2-ethoxyacetamide
CID 106143075
N-[2-(bromomethyl)-2-ethylbutyl]-2-ethoxyacetamide
CID 106254886
N-(2-amino-2-methylpropyl)-2-(2-ethoxyethoxy)acetamide
CID 119626722
N-(1-bromo-2-methylpropan-2-yl)-2-ethoxyacetamide
CID 114308041
2-[2-(2-ethoxyethoxy)ethoxy]-N-(2-methyl-2-sulfanylpropyl)acetamide
CID 175791265
N-(2-amino-2-ethylbutyl)-2-ethoxyacetamide;hydrochloride
CID 119642392
2-ethoxy-N-(2,2,3,3-tetrafluoropropyl)acetamide
CID 103528809
ethane;2-ethoxy-N-[2-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 142043663
N-(2-chloro-4,4-dimethylpentyl)-2-ethoxyacetamide
CID 107156886
N-[2-[(2-bromoacetyl)amino]ethyl]-2-(2-ethoxyethoxy)acetamide
CID 90261180
N-(3-bromo-2,2-dimethylpropyl)-2-ethylbutanamide
CID 115365004
N-(3-hydroxy-2,2-dimethylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103820669

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2,2-dimethylpropyl)-2-ethoxyacetamide?
The IUPAC name of N-(3-bromo-2,2-dimethylpropyl)-2-ethoxyacetamide (CID 115364825) is N-(3-bromo-2,2-dimethylpropyl)-2-ethoxyacetamide.
What is the SMILES notation for N-(3-bromo-2,2-dimethylpropyl)-2-ethoxyacetamide?
The canonical SMILES for N-(3-bromo-2,2-dimethylpropyl)-2-ethoxyacetamide is CCOCC(=O)NCC(C)(C)CBr.
What is the InChIKey of N-(3-bromo-2,2-dimethylpropyl)-2-ethoxyacetamide?
The InChIKey is YUWKLHJKMLTHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BrNO2/c1-4-13-5-8(12)11-7-9(2,3)6-10/h4-7H2,1-3H3,(H,11,12).
What are the key properties of N-(3-bromo-2,2-dimethylpropyl)-2-ethoxyacetamide?
N-(3-bromo-2,2-dimethylpropyl)-2-ethoxyacetamide has a molecular weight of 252.15 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2,2-dimethylpropyl)-2-ethoxyacetamide is sourced from PubChem (CID 115364825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).