N-[4-(bromomethyl)oxan-4-yl]-2-ethoxyacetamide

C10H18BrNO3 — CID 106300891

IUPACN-[4-(bromomethyl)oxan-4-yl]-2-ethoxyacetamide
SMILESCCOCC(=O)NC1(CBr)CCOCC1
InChIInChI=1S/C10H18BrNO3/c1-2-14-7-9(13)12-10(8-11)3-5-15-6-4-10/h2-8H2,1H3,(H,12,13)
InChIKeyBACYDHNGUMWRTH-UHFFFAOYSA-N
MW280.16 g/mol
LogP1.08
Rot. Bonds5

About N-[4-(bromomethyl)oxan-4-yl]-2-ethoxyacetamide

N-[4-(bromomethyl)oxan-4-yl]-2-ethoxyacetamide (PubChem CID 106300891) has the molecular formula C10H18BrNO3 and a molecular weight of 280.16 g/mol. Its IUPAC name is N-[4-(bromomethyl)oxan-4-yl]-2-ethoxyacetamide.

Molecular Properties

Compound NameN-[4-(bromomethyl)oxan-4-yl]-2-ethoxyacetamide
PubChem CID106300891
Molecular FormulaC10H18BrNO3
Molecular Weight280.16 g/mol
Exact Mass279.05
IUPAC NameN-[4-(bromomethyl)oxan-4-yl]-2-ethoxyacetamide
SMILESCCOCC(=O)NC1(CBr)CCOCC1
InChIInChI=1S/C10H18BrNO3/c1-2-14-7-9(13)12-10(8-11)3-5-15-6-4-10/h2-8H2,1H3,(H,12,13)
InChIKeyBACYDHNGUMWRTH-UHFFFAOYSA-N
XLogP1.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.16
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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
N-[4-(bromomethyl)oxan-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 106301013
2-methoxy-2-methyl-N-(4-methyloxan-4-yl)propanamide
CID 103029290
N-(4-methyloxan-4-yl)-2-propoxyacetamide
CID 103839466
2-(2-methoxyethoxy)-N-(4-methyloxan-4-yl)acetamide
CID 103839472
3-bromo-N-(3-methyloxan-3-yl)propanamide
CID 105796140
N-(1-bromo-3-methylpentan-3-yl)-1,4-dioxane-2-carboxamide
CID 106168971
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

Frequently Asked Questions

What is the IUPAC name of N-[4-(bromomethyl)oxan-4-yl]-2-ethoxyacetamide?
The IUPAC name of N-[4-(bromomethyl)oxan-4-yl]-2-ethoxyacetamide (CID 106300891) is N-[4-(bromomethyl)oxan-4-yl]-2-ethoxyacetamide.
What is the SMILES notation for N-[4-(bromomethyl)oxan-4-yl]-2-ethoxyacetamide?
The canonical SMILES for N-[4-(bromomethyl)oxan-4-yl]-2-ethoxyacetamide is CCOCC(=O)NC1(CBr)CCOCC1.
What is the InChIKey of N-[4-(bromomethyl)oxan-4-yl]-2-ethoxyacetamide?
The InChIKey is BACYDHNGUMWRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrNO3/c1-2-14-7-9(13)12-10(8-11)3-5-15-6-4-10/h2-8H2,1H3,(H,12,13).
What are the key properties of N-[4-(bromomethyl)oxan-4-yl]-2-ethoxyacetamide?
N-[4-(bromomethyl)oxan-4-yl]-2-ethoxyacetamide has a molecular weight of 280.16 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(bromomethyl)oxan-4-yl]-2-ethoxyacetamide is sourced from PubChem (CID 106300891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).