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

C11H20BrNO3 — CID 106301018

IUPACN-[4-(bromomethyl)oxan-4-yl]-2-propoxyacetamide
SMILESCCCOCC(=O)NC1(CBr)CCOCC1
InChIInChI=1S/C11H20BrNO3/c1-2-5-16-8-10(14)13-11(9-12)3-6-15-7-4-11/h2-9H2,1H3,(H,13,14)
InChIKeyLCQIFKNSAQAZNT-UHFFFAOYSA-N
MW294.19 g/mol
LogP1.47
Rot. Bonds6

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

N-[4-(bromomethyl)oxan-4-yl]-2-propoxyacetamide (PubChem CID 106301018) has the molecular formula C11H20BrNO3 and a molecular weight of 294.19 g/mol. Its IUPAC name is N-[4-(bromomethyl)oxan-4-yl]-2-propoxyacetamide.

Molecular Properties

Compound NameN-[4-(bromomethyl)oxan-4-yl]-2-propoxyacetamide
PubChem CID106301018
Molecular FormulaC11H20BrNO3
Molecular Weight294.19 g/mol
Exact Mass293.06
IUPAC NameN-[4-(bromomethyl)oxan-4-yl]-2-propoxyacetamide
SMILESCCCOCC(=O)NC1(CBr)CCOCC1
InChIInChI=1S/C11H20BrNO3/c1-2-5-16-8-10(14)13-11(9-12)3-6-15-7-4-11/h2-9H2,1H3,(H,13,14)
InChIKeyLCQIFKNSAQAZNT-UHFFFAOYSA-N
XLogP1.47
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.19
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(bromomethyl)oxan-4-yl]-2-propoxyacetamide?
The IUPAC name of N-[4-(bromomethyl)oxan-4-yl]-2-propoxyacetamide (CID 106301018) is N-[4-(bromomethyl)oxan-4-yl]-2-propoxyacetamide.
What is the SMILES notation for N-[4-(bromomethyl)oxan-4-yl]-2-propoxyacetamide?
The canonical SMILES for N-[4-(bromomethyl)oxan-4-yl]-2-propoxyacetamide is CCCOCC(=O)NC1(CBr)CCOCC1.
What is the InChIKey of N-[4-(bromomethyl)oxan-4-yl]-2-propoxyacetamide?
The InChIKey is LCQIFKNSAQAZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrNO3/c1-2-5-16-8-10(14)13-11(9-12)3-6-15-7-4-11/h2-9H2,1H3,(H,13,14).
What are the key properties of N-[4-(bromomethyl)oxan-4-yl]-2-propoxyacetamide?
N-[4-(bromomethyl)oxan-4-yl]-2-propoxyacetamide has a molecular weight of 294.19 g/mol, XLogP of 1.47, 6 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-propoxyacetamide is sourced from PubChem (CID 106301018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).