2-(4-bromo-2,3,5-trimethylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide

C17H26BrNO3 — CID 4268508

IUPAC2-(4-bromo-2,3,5-trimethylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide
SMILESCc1cc(OCC(=O)NCCCOC(C)C)c(C)c(C)c1Br
InChIInChI=1S/C17H26BrNO3/c1-11(2)21-8-6-7-19-16(20)10-22-15-9-12(3)17(18)14(5)13(15)4/h9,11H,6-8,10H2,1-5H3,(H,19,20)
InChIKeyXODHJLYYYJNABU-UHFFFAOYSA-N
MW372.30 g/mol
LogP3.68
Rot. Bonds8

About 2-(4-bromo-2,3,5-trimethylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide

2-(4-bromo-2,3,5-trimethylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide (PubChem CID 4268508) has the molecular formula C17H26BrNO3 and a molecular weight of 372.30 g/mol. Its IUPAC name is 2-(4-bromo-2,3,5-trimethylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2,3,5-trimethylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide
PubChem CID4268508
Molecular FormulaC17H26BrNO3
Molecular Weight372.30 g/mol
Exact Mass371.11
IUPAC Name2-(4-bromo-2,3,5-trimethylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide
SMILESCc1cc(OCC(=O)NCCCOC(C)C)c(C)c(C)c1Br
InChIInChI=1S/C17H26BrNO3/c1-11(2)21-8-6-7-19-16(20)10-22-15-9-12(3)17(18)14(5)13(15)4/h9,11H,6-8,10H2,1-5H3,(H,19,20)
InChIKeyXODHJLYYYJNABU-UHFFFAOYSA-N
XLogP3.68
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.30
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide
CID 9480027
2-(2-iodophenoxy)-N-(3-propan-2-yloxypropyl)acetamide
CID 55685058
2-(4-bromo-2,3,5-trimethylphenoxy)-N-[(4-chlorophenyl)methyl]acetamide
CID 5039239
2-(2-butan-2-ylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide
CID 86907773
2-(2-aminophenoxy)-N-(4-propan-2-yloxybutyl)acetamide
CID 106006099
2-(2-chloro-4-nitrophenoxy)-N-(3-propan-2-yloxypropyl)acetamide
CID 8587948
3-[2-oxo-2-(3-propan-2-yloxypropylamino)ethoxy]benzoic acid
CID 43214917
ethyl 2-(4-bromo-2,3,5-trimethylphenoxy)acetate
CID 86047360
2-(4-bromo-2-methylphenoxy)-N-[3-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]propyl]acetamide
CID 4981184
2-ethoxy-N-(3-propan-2-yloxypropyl)acetamide
CID 60638133
N-(3-propan-2-yloxypropyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 8008074
2,4,5-trimethyl-N-(3-propan-2-yloxypropyl)benzamide
CID 100709096

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,3,5-trimethylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide?
The IUPAC name of 2-(4-bromo-2,3,5-trimethylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide (CID 4268508) is 2-(4-bromo-2,3,5-trimethylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2,3,5-trimethylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide?
The canonical SMILES for 2-(4-bromo-2,3,5-trimethylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide is Cc1cc(OCC(=O)NCCCOC(C)C)c(C)c(C)c1Br.
What is the InChIKey of 2-(4-bromo-2,3,5-trimethylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide?
The InChIKey is XODHJLYYYJNABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO3/c1-11(2)21-8-6-7-19-16(20)10-22-15-9-12(3)17(18)14(5)13(15)4/h9,11H,6-8,10H2,1-5H3,(H,19,20).
What are the key properties of 2-(4-bromo-2,3,5-trimethylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide?
2-(4-bromo-2,3,5-trimethylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide has a molecular weight of 372.30 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,3,5-trimethylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide is sourced from PubChem (CID 4268508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).