2-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]-N-pentan-3-ylacetamide

C15H22BrNO3 — CID 115962242

IUPAC2-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)COc1c(C)cc(Br)cc1CO
InChIInChI=1S/C15H22BrNO3/c1-4-13(5-2)17-14(19)9-20-15-10(3)6-12(16)7-11(15)8-18/h6-7,13,18H,4-5,8-9H2,1-3H3,(H,17,19)
InChIKeyYOQQSYSTYFGNBP-UHFFFAOYSA-N
MW344.25 g/mol
LogP2.93
Rot. Bonds7

About 2-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]-N-pentan-3-ylacetamide

2-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]-N-pentan-3-ylacetamide (PubChem CID 115962242) has the molecular formula C15H22BrNO3 and a molecular weight of 344.25 g/mol. Its IUPAC name is 2-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]-N-pentan-3-ylacetamide
PubChem CID115962242
Molecular FormulaC15H22BrNO3
Molecular Weight344.25 g/mol
Exact Mass343.08
IUPAC Name2-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)COc1c(C)cc(Br)cc1CO
InChIInChI=1S/C15H22BrNO3/c1-4-13(5-2)17-14(19)9-20-15-10(3)6-12(16)7-11(15)8-18/h6-7,13,18H,4-5,8-9H2,1-3H3,(H,17,19)
InChIKeyYOQQSYSTYFGNBP-UHFFFAOYSA-N
XLogP2.93
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]-N-pentan-3-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]-N-butan-2-ylacetamide
CID 112621010
2-[2-(2-aminoethyl)-4-bromo-6-methylphenoxy]-N-pentan-3-ylacetamide
CID 115962726
2-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]-N-prop-2-ynylacetamide
CID 112620979
2-[4-bromo-2-(ethylaminomethyl)-6-methylphenoxy]-N-propan-2-ylacetamide
CID 115961183
2-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]-N-butan-2-ylpropanamide
CID 115962149
2-[4-bromo-2-methyl-6-(methylaminomethyl)phenoxy]-N-pentan-2-ylacetamide
CID 115961086
2-[2,6-dimethyl-4-(methylaminomethyl)phenoxy]-N-pentan-3-ylacetamide
CID 61486985
[5-bromo-2-(2-bromoprop-2-enoxy)-3-methylphenyl]methanol
CID 112621176
butyl 2-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]acetate
CID 112621145
(5-bromo-3-methyl-2-propoxyphenyl)methanol
CID 112621128
2-(4-bromo-2-formyl-6-methylphenoxy)-N-butan-2-ylacetamide
CID 112620746
2-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]-1-piperidin-1-ylethanone
CID 115962201

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]-N-pentan-3-ylacetamide?
The IUPAC name of 2-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]-N-pentan-3-ylacetamide (CID 115962242) is 2-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]-N-pentan-3-ylacetamide?
The canonical SMILES for 2-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]-N-pentan-3-ylacetamide is CCC(CC)NC(=O)COc1c(C)cc(Br)cc1CO.
What is the InChIKey of 2-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]-N-pentan-3-ylacetamide?
The InChIKey is YOQQSYSTYFGNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO3/c1-4-13(5-2)17-14(19)9-20-15-10(3)6-12(16)7-11(15)8-18/h6-7,13,18H,4-5,8-9H2,1-3H3,(H,17,19).
What are the key properties of 2-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]-N-pentan-3-ylacetamide?
2-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]-N-pentan-3-ylacetamide has a molecular weight of 344.25 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]-N-pentan-3-ylacetamide is sourced from PubChem (CID 115962242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).