2-(2-bromo-4-methylphenoxy)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide

C15H20BrNO4 — CID 79037091

IUPAC2-(2-bromo-4-methylphenoxy)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
SMILESCc1ccc(OCC(=O)NCC2(O)CCOCC2)c(Br)c1
InChIInChI=1S/C15H20BrNO4/c1-11-2-3-13(12(16)8-11)21-9-14(18)17-10-15(19)4-6-20-7-5-15/h2-3,8,19H,4-7,9-10H2,1H3,(H,17,18)
InChIKeyRHXRXILSYQGOGT-UHFFFAOYSA-N
MW358.23 g/mol
LogP1.79
Rot. Bonds5

About 2-(2-bromo-4-methylphenoxy)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide

2-(2-bromo-4-methylphenoxy)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide (PubChem CID 79037091) has the molecular formula C15H20BrNO4 and a molecular weight of 358.23 g/mol. Its IUPAC name is 2-(2-bromo-4-methylphenoxy)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-methylphenoxy)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
PubChem CID79037091
Molecular FormulaC15H20BrNO4
Molecular Weight358.23 g/mol
Exact Mass357.06
IUPAC Name2-(2-bromo-4-methylphenoxy)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
SMILESCc1ccc(OCC(=O)NCC2(O)CCOCC2)c(Br)c1
InChIInChI=1S/C15H20BrNO4/c1-11-2-3-13(12(16)8-11)21-9-14(18)17-10-15(19)4-6-20-7-5-15/h2-3,8,19H,4-7,9-10H2,1H3,(H,17,18)
InChIKeyRHXRXILSYQGOGT-UHFFFAOYSA-N
XLogP1.79
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.23
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromo-4-methylphenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide
CID 114751462
2-(2-bromo-4-methylphenoxy)-N'-[2-(2-bromo-4-methylphenoxy)acetyl]acetohydrazide
CID 5089524
2-(2-bromo-4-methylphenoxy)-N-(3-morpholin-4-ylpropyl)acetamide
CID 5146954
2-(2-bromo-4-methylphenoxy)-N-(2-chloroprop-2-enyl)acetamide
CID 115636543
2-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]ethyl-dimethylazanium
CID 2184742
2-(2-bromo-4-methylphenoxy)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]acetamide
CID 24582308
3-(2,4-dimethylphenoxy)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
CID 103848868
2-(2-bromo-4-methylphenoxy)-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106123697
N-[(4-hydroxyoxan-4-yl)methyl]-2-naphthalen-2-yloxyacetamide
CID 56765194
2-(3-ethylphenoxy)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
CID 79037319
2-(3,4-dimethoxyphenyl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
CID 71788625
4-[(2-fluoro-4-methylphenoxy)methyl]oxan-4-ol
CID 90208688

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide?
The IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide (CID 79037091) is 2-(2-bromo-4-methylphenoxy)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-methylphenoxy)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide?
The canonical SMILES for 2-(2-bromo-4-methylphenoxy)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide is Cc1ccc(OCC(=O)NCC2(O)CCOCC2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methylphenoxy)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide?
The InChIKey is RHXRXILSYQGOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO4/c1-11-2-3-13(12(16)8-11)21-9-14(18)17-10-15(19)4-6-20-7-5-15/h2-3,8,19H,4-7,9-10H2,1H3,(H,17,18).
What are the key properties of 2-(2-bromo-4-methylphenoxy)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide?
2-(2-bromo-4-methylphenoxy)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide has a molecular weight of 358.23 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylphenoxy)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide is sourced from PubChem (CID 79037091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).