2-(4-bromo-3-methylphenoxy)-N-(oxan-4-yl)acetamide

C14H18BrNO3 — CID 81301243

IUPAC2-(4-bromo-3-methylphenoxy)-N-(oxan-4-yl)acetamide
SMILESCc1cc(OCC(=O)NC2CCOCC2)ccc1Br
InChIInChI=1S/C14H18BrNO3/c1-10-8-12(2-3-13(10)15)19-9-14(17)16-11-4-6-18-7-5-11/h2-3,8,11H,4-7,9H2,1H3,(H,16,17)
InChIKeyDDEBHFIDWOVEGF-UHFFFAOYSA-N
MW328.21 g/mol
LogP2.43
Rot. Bonds4

About 2-(4-bromo-3-methylphenoxy)-N-(oxan-4-yl)acetamide

2-(4-bromo-3-methylphenoxy)-N-(oxan-4-yl)acetamide (PubChem CID 81301243) has the molecular formula C14H18BrNO3 and a molecular weight of 328.21 g/mol. Its IUPAC name is 2-(4-bromo-3-methylphenoxy)-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-3-methylphenoxy)-N-(oxan-4-yl)acetamide
PubChem CID81301243
Molecular FormulaC14H18BrNO3
Molecular Weight328.21 g/mol
Exact Mass327.05
IUPAC Name2-(4-bromo-3-methylphenoxy)-N-(oxan-4-yl)acetamide
SMILESCc1cc(OCC(=O)NC2CCOCC2)ccc1Br
InChIInChI=1S/C14H18BrNO3/c1-10-8-12(2-3-13(10)15)19-9-14(17)16-11-4-6-18-7-5-11/h2-3,8,11H,4-7,9H2,1H3,(H,16,17)
InChIKeyDDEBHFIDWOVEGF-UHFFFAOYSA-N
XLogP2.43
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-hydroxyphenoxy)-N-(oxan-4-yl)acetamide
CID 55182267
2-(4-methyl-2-oxochromen-7-yl)oxy-N-(oxan-4-yl)acetamide
CID 60533521
2-(4-bromo-3-methylanilino)-N-(oxan-4-yl)acetamide
CID 63098146
N-(oxan-4-yl)-2-phenoxyacetamide
CID 61062946
2-(4-bromo-3-methylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 845232
N-(oxan-4-yl)-2-[4-(2-oxopropyl)phenoxy]acetamide
CID 115495370
2-(2-bromo-5-methoxyphenoxy)-N-(oxolan-3-yl)acetamide
CID 172906977
2-(3-bromo-5-iodophenoxy)-N-(oxan-4-yl)acetamide
CID 175686810
N-cyclopropyl-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 78759925
2-(3-chloro-4-nitrophenoxy)-N-(oxan-4-yl)acetamide
CID 78924749
2-[3-(ethylaminomethyl)phenoxy]-N-(oxan-4-yl)acetamide
CID 63098119
2-(3,4-dimethylphenoxy)-N-piperidin-4-ylacetamide;hydrochloride
CID 119386968

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylphenoxy)-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-(4-bromo-3-methylphenoxy)-N-(oxan-4-yl)acetamide (CID 81301243) is 2-(4-bromo-3-methylphenoxy)-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-(4-bromo-3-methylphenoxy)-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-(4-bromo-3-methylphenoxy)-N-(oxan-4-yl)acetamide is Cc1cc(OCC(=O)NC2CCOCC2)ccc1Br.
What is the InChIKey of 2-(4-bromo-3-methylphenoxy)-N-(oxan-4-yl)acetamide?
The InChIKey is DDEBHFIDWOVEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO3/c1-10-8-12(2-3-13(10)15)19-9-14(17)16-11-4-6-18-7-5-11/h2-3,8,11H,4-7,9H2,1H3,(H,16,17).
What are the key properties of 2-(4-bromo-3-methylphenoxy)-N-(oxan-4-yl)acetamide?
2-(4-bromo-3-methylphenoxy)-N-(oxan-4-yl)acetamide has a molecular weight of 328.21 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methylphenoxy)-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 81301243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).