2-(2-bromophenoxy)-N-[2-(3-methylbutoxy)ethyl]acetamide

C15H22BrNO3 — CID 60529897

IUPAC2-(2-bromophenoxy)-N-[2-(3-methylbutoxy)ethyl]acetamide
SMILESCC(C)CCOCCNC(=O)COc1ccccc1Br
InChIInChI=1S/C15H22BrNO3/c1-12(2)7-9-19-10-8-17-15(18)11-20-14-6-4-3-5-13(14)16/h3-6,12H,7-11H2,1-2H3,(H,17,18)
InChIKeyALDJZCVGNPJHGA-UHFFFAOYSA-N
MW344.25 g/mol
LogP3.01
Rot. Bonds9

About 2-(2-bromophenoxy)-N-[2-(3-methylbutoxy)ethyl]acetamide

2-(2-bromophenoxy)-N-[2-(3-methylbutoxy)ethyl]acetamide (PubChem CID 60529897) has the molecular formula C15H22BrNO3 and a molecular weight of 344.25 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-N-[2-(3-methylbutoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-bromophenoxy)-N-[2-(3-methylbutoxy)ethyl]acetamide
PubChem CID60529897
Molecular FormulaC15H22BrNO3
Molecular Weight344.25 g/mol
Exact Mass343.08
IUPAC Name2-(2-bromophenoxy)-N-[2-(3-methylbutoxy)ethyl]acetamide
SMILESCC(C)CCOCCNC(=O)COc1ccccc1Br
InChIInChI=1S/C15H22BrNO3/c1-12(2)7-9-19-10-8-17-15(18)11-20-14-6-4-3-5-13(14)16/h3-6,12H,7-11H2,1-2H3,(H,17,18)
InChIKeyALDJZCVGNPJHGA-UHFFFAOYSA-N
XLogP3.01
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 53.01
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-[2-[2-(3-methylbutoxy)ethylamino]-2-oxoethoxy]-N-phenylbenzamide
CID 60529536
2-(2-bromophenoxy)-N-butylacetamide
CID 55029150
N-[2-(2-bromophenoxy)ethyl]-2-methylpropanamide
CID 113099538
2-(2-bromophenoxy)-N-(4-phenylbutan-2-yl)acetamide
CID 4781197
2-(2-bromophenoxy)-N-methylacetamide
CID 8024487
2-(2-bromophenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 8957063
3-[2-[2-(3-methylbutoxy)ethylamino]-2-oxoethoxy]benzamide
CID 87024121
N-[2-(2-hydroxyethoxy)ethyl]-2-(2-methylphenoxy)acetamide
CID 60654502
2-(2-chlorophenoxy)-N-[2-(2-hydroxyethoxy)ethyl]acetamide
CID 60654382
2-[2-[(1R)-1-hydroxyethyl]phenoxy]-N-(3-methylbutyl)acetamide
CID 63364835
2-[2-(1-hydroxyethyl)phenoxy]-N-(3-methylbutyl)acetamide
CID 61486616
2-[2-(3-methylbutylamino)-2-oxoethoxy]benzoic acid
CID 43214287

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-N-[2-(3-methylbutoxy)ethyl]acetamide?
The IUPAC name of 2-(2-bromophenoxy)-N-[2-(3-methylbutoxy)ethyl]acetamide (CID 60529897) is 2-(2-bromophenoxy)-N-[2-(3-methylbutoxy)ethyl]acetamide.
What is the SMILES notation for 2-(2-bromophenoxy)-N-[2-(3-methylbutoxy)ethyl]acetamide?
The canonical SMILES for 2-(2-bromophenoxy)-N-[2-(3-methylbutoxy)ethyl]acetamide is CC(C)CCOCCNC(=O)COc1ccccc1Br.
What is the InChIKey of 2-(2-bromophenoxy)-N-[2-(3-methylbutoxy)ethyl]acetamide?
The InChIKey is ALDJZCVGNPJHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO3/c1-12(2)7-9-19-10-8-17-15(18)11-20-14-6-4-3-5-13(14)16/h3-6,12H,7-11H2,1-2H3,(H,17,18).
What are the key properties of 2-(2-bromophenoxy)-N-[2-(3-methylbutoxy)ethyl]acetamide?
2-(2-bromophenoxy)-N-[2-(3-methylbutoxy)ethyl]acetamide has a molecular weight of 344.25 g/mol, XLogP of 3.01, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)-N-[2-(3-methylbutoxy)ethyl]acetamide is sourced from PubChem (CID 60529897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).