N-(4-chloro-2,2-dimethylbutyl)-2-ethoxyacetamide

C10H20ClNO2 — CID 106143075

IUPACN-(4-chloro-2,2-dimethylbutyl)-2-ethoxyacetamide
SMILESCCOCC(=O)NCC(C)(C)CCCl
InChIInChI=1S/C10H20ClNO2/c1-4-14-7-9(13)12-8-10(2,3)5-6-11/h4-8H2,1-3H3,(H,12,13)
InChIKeyZHLDUUHOGDYAEF-UHFFFAOYSA-N
MW221.73 g/mol
LogP1.79
Rot. Bonds7

About N-(4-chloro-2,2-dimethylbutyl)-2-ethoxyacetamide

N-(4-chloro-2,2-dimethylbutyl)-2-ethoxyacetamide (PubChem CID 106143075) has the molecular formula C10H20ClNO2 and a molecular weight of 221.73 g/mol. Its IUPAC name is N-(4-chloro-2,2-dimethylbutyl)-2-ethoxyacetamide.

Molecular Properties

Compound NameN-(4-chloro-2,2-dimethylbutyl)-2-ethoxyacetamide
PubChem CID106143075
Molecular FormulaC10H20ClNO2
Molecular Weight221.73 g/mol
Exact Mass221.12
IUPAC NameN-(4-chloro-2,2-dimethylbutyl)-2-ethoxyacetamide
SMILESCCOCC(=O)NCC(C)(C)CCCl
InChIInChI=1S/C10H20ClNO2/c1-4-14-7-9(13)12-8-10(2,3)5-6-11/h4-8H2,1-3H3,(H,12,13)
InChIKeyZHLDUUHOGDYAEF-UHFFFAOYSA-N
XLogP1.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 51.79
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-(5-chloro-2,2-dimethylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 114149552
N-(4-chloro-2,2-dimethylbutyl)-4,4,4-trifluorobutanamide
CID 106143278
N-(2-amino-2-ethylbutyl)-2-ethoxyacetamide;hydrochloride
CID 119642392
N-(2-amino-2-methylpropyl)-2-(2-ethoxyethoxy)acetamide
CID 119626722
2-ethoxy-N-(2,2,3,3-tetrafluoropropyl)acetamide
CID 103528809
N-[2-(bromomethyl)-2-ethylbutyl]-2-ethoxyacetamide
CID 106254886
2-[2-(2-ethoxyethoxy)ethoxy]-N-(2-methyl-2-sulfanylpropyl)acetamide
CID 175791265
N-(2,2-dimethylheptyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605551
N-(2-chloro-4,4-dimethylpentyl)-2-ethoxyacetamide
CID 107156886
3-chloro-N-(4-hydroxy-2,2-dimethylbutyl)propanamide
CID 106145976
N-(3-hydroxy-2,2-dimethylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103820669

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,2-dimethylbutyl)-2-ethoxyacetamide?
The IUPAC name of N-(4-chloro-2,2-dimethylbutyl)-2-ethoxyacetamide (CID 106143075) is N-(4-chloro-2,2-dimethylbutyl)-2-ethoxyacetamide.
What is the SMILES notation for N-(4-chloro-2,2-dimethylbutyl)-2-ethoxyacetamide?
The canonical SMILES for N-(4-chloro-2,2-dimethylbutyl)-2-ethoxyacetamide is CCOCC(=O)NCC(C)(C)CCCl.
What is the InChIKey of N-(4-chloro-2,2-dimethylbutyl)-2-ethoxyacetamide?
The InChIKey is ZHLDUUHOGDYAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO2/c1-4-14-7-9(13)12-8-10(2,3)5-6-11/h4-8H2,1-3H3,(H,12,13).
What are the key properties of N-(4-chloro-2,2-dimethylbutyl)-2-ethoxyacetamide?
N-(4-chloro-2,2-dimethylbutyl)-2-ethoxyacetamide has a molecular weight of 221.73 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,2-dimethylbutyl)-2-ethoxyacetamide is sourced from PubChem (CID 106143075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).