N-[2-(4-bromo-2,6-dimethylphenoxy)ethyl]acetamide

C12H16BrNO2 — CID 2301036

IUPACN-[2-(4-bromo-2,6-dimethylphenoxy)ethyl]acetamide
SMILESCC(=O)NCCOc1c(C)cc(Br)cc1C
InChIInChI=1S/C12H16BrNO2/c1-8-6-11(13)7-9(2)12(8)16-5-4-14-10(3)15/h6-7H,4-5H2,1-3H3,(H,14,15)
InChIKeyJBKKPBGOYOKAFX-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.58
Rot. Bonds4

About N-[2-(4-bromo-2,6-dimethylphenoxy)ethyl]acetamide

N-[2-(4-bromo-2,6-dimethylphenoxy)ethyl]acetamide (PubChem CID 2301036) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is N-[2-(4-bromo-2,6-dimethylphenoxy)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(4-bromo-2,6-dimethylphenoxy)ethyl]acetamide
PubChem CID2301036
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC NameN-[2-(4-bromo-2,6-dimethylphenoxy)ethyl]acetamide
SMILESCC(=O)NCCOc1c(C)cc(Br)cc1C
InChIInChI=1S/C12H16BrNO2/c1-8-6-11(13)7-9(2)12(8)16-5-4-14-10(3)15/h6-7H,4-5H2,1-3H3,(H,14,15)
InChIKeyJBKKPBGOYOKAFX-UHFFFAOYSA-N
XLogP2.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromo-2,6-dimethylphenoxy)ethyl]acetamide?
The IUPAC name of N-[2-(4-bromo-2,6-dimethylphenoxy)ethyl]acetamide (CID 2301036) is N-[2-(4-bromo-2,6-dimethylphenoxy)ethyl]acetamide.
What is the SMILES notation for N-[2-(4-bromo-2,6-dimethylphenoxy)ethyl]acetamide?
The canonical SMILES for N-[2-(4-bromo-2,6-dimethylphenoxy)ethyl]acetamide is CC(=O)NCCOc1c(C)cc(Br)cc1C.
What is the InChIKey of N-[2-(4-bromo-2,6-dimethylphenoxy)ethyl]acetamide?
The InChIKey is JBKKPBGOYOKAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-8-6-11(13)7-9(2)12(8)16-5-4-14-10(3)15/h6-7H,4-5H2,1-3H3,(H,14,15).
What are the key properties of N-[2-(4-bromo-2,6-dimethylphenoxy)ethyl]acetamide?
N-[2-(4-bromo-2,6-dimethylphenoxy)ethyl]acetamide has a molecular weight of 286.17 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromo-2,6-dimethylphenoxy)ethyl]acetamide is sourced from PubChem (CID 2301036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).