N-(1-bromo-2-methylpropan-2-yl)-2-ethoxyacetamide

C8H16BrNO2 — CID 114308041

IUPACN-(1-bromo-2-methylpropan-2-yl)-2-ethoxyacetamide
SMILESCCOCC(=O)NC(C)(C)CBr
InChIInChI=1S/C8H16BrNO2/c1-4-12-5-7(11)10-8(2,3)6-9/h4-6H2,1-3H3,(H,10,11)
InChIKeyLQWRRKFXOGSOJN-UHFFFAOYSA-N
MW238.12 g/mol
LogP1.31
Rot. Bonds5

About N-(1-bromo-2-methylpropan-2-yl)-2-ethoxyacetamide

N-(1-bromo-2-methylpropan-2-yl)-2-ethoxyacetamide (PubChem CID 114308041) has the molecular formula C8H16BrNO2 and a molecular weight of 238.12 g/mol. Its IUPAC name is N-(1-bromo-2-methylpropan-2-yl)-2-ethoxyacetamide.

Molecular Properties

Compound NameN-(1-bromo-2-methylpropan-2-yl)-2-ethoxyacetamide
PubChem CID114308041
Molecular FormulaC8H16BrNO2
Molecular Weight238.12 g/mol
Exact Mass237.04
IUPAC NameN-(1-bromo-2-methylpropan-2-yl)-2-ethoxyacetamide
SMILESCCOCC(=O)NC(C)(C)CBr
InChIInChI=1S/C8H16BrNO2/c1-4-12-5-7(11)10-8(2,3)6-9/h4-6H2,1-3H3,(H,10,11)
InChIKeyLQWRRKFXOGSOJN-UHFFFAOYSA-N
XLogP1.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.12
LogP ≤ 51.31
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

3-[(2-ethoxyacetyl)amino]-3-methylbutanamide
CID 104579494
N-(3-bromo-2,2-dimethylpropyl)-2-ethoxyacetamide
CID 115364825
2-[(2-ethoxyacetyl)amino]-2-ethylbutanoic acid
CID 79806522
2-[2-(methylamino)ethoxy]-N-(2-methylbutan-2-yl)acetamide
CID 62338179
N-[2-(bromomethyl)-2-ethylbutyl]-2-ethoxyacetamide
CID 106254886
3-[[2-(2-aminoethoxy)acetyl]amino]-3-methylbutanoic acid
CID 79478702
3-[[2-(2-methoxyethoxy)acetyl]amino]-3-methylbutanamide
CID 104579509
2-[(2-ethoxyacetyl)amino]-3-methoxy-2-methylpropanoic acid
CID 115910312
N-[1-chloro-2-(chloromethyl)butan-2-yl]-2-ethoxyacetamide
CID 107867504
N-(2-methylbutan-2-yl)-2-[2-(propylamino)ethoxy]acetamide
CID 62335943
N-(3-carbamothioylpentan-3-yl)-2-ethoxyacetamide
CID 61121561
2-[2-(2-ethoxyethoxy)ethoxy]-N-(2-methyl-2-sulfanylpropyl)acetamide
CID 175791265

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-2-methylpropan-2-yl)-2-ethoxyacetamide?
The IUPAC name of N-(1-bromo-2-methylpropan-2-yl)-2-ethoxyacetamide (CID 114308041) is N-(1-bromo-2-methylpropan-2-yl)-2-ethoxyacetamide.
What is the SMILES notation for N-(1-bromo-2-methylpropan-2-yl)-2-ethoxyacetamide?
The canonical SMILES for N-(1-bromo-2-methylpropan-2-yl)-2-ethoxyacetamide is CCOCC(=O)NC(C)(C)CBr.
What is the InChIKey of N-(1-bromo-2-methylpropan-2-yl)-2-ethoxyacetamide?
The InChIKey is LQWRRKFXOGSOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrNO2/c1-4-12-5-7(11)10-8(2,3)6-9/h4-6H2,1-3H3,(H,10,11).
What are the key properties of N-(1-bromo-2-methylpropan-2-yl)-2-ethoxyacetamide?
N-(1-bromo-2-methylpropan-2-yl)-2-ethoxyacetamide has a molecular weight of 238.12 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-2-methylpropan-2-yl)-2-ethoxyacetamide is sourced from PubChem (CID 114308041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).