3-(4-bromophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide

C15H22BrNO3 — CID 103825257

IUPAC3-(4-bromophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide
SMILESCC(C)(CCO)CNC(=O)CCOc1ccc(Br)cc1
InChIInChI=1S/C15H22BrNO3/c1-15(2,8-9-18)11-17-14(19)7-10-20-13-5-3-12(16)4-6-13/h3-6,18H,7-11H2,1-2H3,(H,17,19)
InChIKeyTYLKAFQZCNALEG-UHFFFAOYSA-N
MW344.25 g/mol
LogP2.74
Rot. Bonds8

About 3-(4-bromophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide

3-(4-bromophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide (PubChem CID 103825257) has the molecular formula C15H22BrNO3 and a molecular weight of 344.25 g/mol. Its IUPAC name is 3-(4-bromophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide.

Molecular Properties

Compound Name3-(4-bromophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide
PubChem CID103825257
Molecular FormulaC15H22BrNO3
Molecular Weight344.25 g/mol
Exact Mass343.08
IUPAC Name3-(4-bromophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide
SMILESCC(C)(CCO)CNC(=O)CCOc1ccc(Br)cc1
InChIInChI=1S/C15H22BrNO3/c1-15(2,8-9-18)11-17-14(19)7-10-20-13-5-3-12(16)4-6-13/h3-6,18H,7-11H2,1-2H3,(H,17,19)
InChIKeyTYLKAFQZCNALEG-UHFFFAOYSA-N
XLogP2.74
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-aminophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide
CID 106139288
4-(4-fluorophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)butanamide
CID 103772535
3-(3,5-dimethylphenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide
CID 103772894
3-(4-bromophenoxy)-N-(2-hydroxyethyl)propanamide
CID 43427786
3-(4-bromophenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide
CID 103839832
N-(4-amino-2,2-dimethylbutyl)-3-phenoxypropanamide
CID 106139517
3-(4-aminophenoxy)-N-(2,2-dimethylbutyl)propanamide
CID 103459992
3-(4-bromophenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide
CID 64558336
2-(2,4-dibromophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)acetamide
CID 103825366
3-(4-bromophenoxy)-N-(2-bromoprop-2-enyl)propanamide
CID 47438875
3-(4-bromophenoxy)-N-(1-hydroxypropan-2-yl)propanamide
CID 43427807
N'-(4-bromophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)oxamide
CID 111491144

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide?
The IUPAC name of 3-(4-bromophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide (CID 103825257) is 3-(4-bromophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide.
What is the SMILES notation for 3-(4-bromophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide?
The canonical SMILES for 3-(4-bromophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide is CC(C)(CCO)CNC(=O)CCOc1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide?
The InChIKey is TYLKAFQZCNALEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO3/c1-15(2,8-9-18)11-17-14(19)7-10-20-13-5-3-12(16)4-6-13/h3-6,18H,7-11H2,1-2H3,(H,17,19).
What are the key properties of 3-(4-bromophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide?
3-(4-bromophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide has a molecular weight of 344.25 g/mol, XLogP of 2.74, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide is sourced from PubChem (CID 103825257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).