2-[2-bromo-6-(hydroxymethyl)phenoxy]-N-pentan-2-ylpropanamide

C15H22BrNO3 — CID 61391751

IUPAC2-[2-bromo-6-(hydroxymethyl)phenoxy]-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)Oc1c(Br)cccc1CO
InChIInChI=1S/C15H22BrNO3/c1-4-6-10(2)17-15(19)11(3)20-14-12(9-18)7-5-8-13(14)16/h5,7-8,10-11,18H,4,6,9H2,1-3H3,(H,17,19)
InChIKeyUQIAAWLWUVMGQZ-UHFFFAOYSA-N
MW344.25 g/mol
LogP3.01
Rot. Bonds7

About 2-[2-bromo-6-(hydroxymethyl)phenoxy]-N-pentan-2-ylpropanamide

2-[2-bromo-6-(hydroxymethyl)phenoxy]-N-pentan-2-ylpropanamide (PubChem CID 61391751) has the molecular formula C15H22BrNO3 and a molecular weight of 344.25 g/mol. Its IUPAC name is 2-[2-bromo-6-(hydroxymethyl)phenoxy]-N-pentan-2-ylpropanamide.

Molecular Properties

Compound Name2-[2-bromo-6-(hydroxymethyl)phenoxy]-N-pentan-2-ylpropanamide
PubChem CID61391751
Molecular FormulaC15H22BrNO3
Molecular Weight344.25 g/mol
Exact Mass343.08
IUPAC Name2-[2-bromo-6-(hydroxymethyl)phenoxy]-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)Oc1c(Br)cccc1CO
InChIInChI=1S/C15H22BrNO3/c1-4-6-10(2)17-15(19)11(3)20-14-12(9-18)7-5-8-13(14)16/h5,7-8,10-11,18H,4,6,9H2,1-3H3,(H,17,19)
InChIKeyUQIAAWLWUVMGQZ-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-bromo-6-(methylaminomethyl)phenoxy]-N-pentan-2-ylpropanamide
CID 61389625
2-[2-bromo-6-(hydroxymethyl)phenoxy]-N-(2-methylbutan-2-yl)propanamide
CID 61391752
2-[2-(2-aminopropyl)-6-bromophenoxy]-N-butan-2-ylpropanamide
CID 61392424
2-[2-(2-aminoethyl)-6-bromophenoxy]-N-butan-2-ylpropanamide
CID 61391965
(2R)-2-(2-ethylphenoxy)-N-[(2S)-pentan-2-yl]propanamide
CID 92684665
(2S)-2-(2-ethylphenoxy)-N-[(2R)-pentan-2-yl]propanamide
CID 92684666
2-[2-bromo-6-(ethylaminomethyl)phenoxy]-N-butylpropanamide
CID 61390210
2-[2-(2-aminoethyl)-6-bromophenoxy]-N-propylpropanamide
CID 61391964
(2S)-2-(3-methoxyphenoxy)-N-[(2S)-pentan-2-yl]propanamide
CID 99953946
2-[2-(hydroxymethyl)-6-methylphenoxy]-N-propylpropanamide
CID 112612370
2-(2-bromo-4-fluorophenoxy)-N-pentan-2-ylpropanamide
CID 43112360
2-(2-bromophenoxy)-N-butan-2-ylpropanamide
CID 43117128

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-6-(hydroxymethyl)phenoxy]-N-pentan-2-ylpropanamide?
The IUPAC name of 2-[2-bromo-6-(hydroxymethyl)phenoxy]-N-pentan-2-ylpropanamide (CID 61391751) is 2-[2-bromo-6-(hydroxymethyl)phenoxy]-N-pentan-2-ylpropanamide.
What is the SMILES notation for 2-[2-bromo-6-(hydroxymethyl)phenoxy]-N-pentan-2-ylpropanamide?
The canonical SMILES for 2-[2-bromo-6-(hydroxymethyl)phenoxy]-N-pentan-2-ylpropanamide is CCCC(C)NC(=O)C(C)Oc1c(Br)cccc1CO.
What is the InChIKey of 2-[2-bromo-6-(hydroxymethyl)phenoxy]-N-pentan-2-ylpropanamide?
The InChIKey is UQIAAWLWUVMGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO3/c1-4-6-10(2)17-15(19)11(3)20-14-12(9-18)7-5-8-13(14)16/h5,7-8,10-11,18H,4,6,9H2,1-3H3,(H,17,19).
What are the key properties of 2-[2-bromo-6-(hydroxymethyl)phenoxy]-N-pentan-2-ylpropanamide?
2-[2-bromo-6-(hydroxymethyl)phenoxy]-N-pentan-2-ylpropanamide has a molecular weight of 344.25 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-6-(hydroxymethyl)phenoxy]-N-pentan-2-ylpropanamide is sourced from PubChem (CID 61391751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).