3-(4-bromophenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide

C14H20BrNO3 — CID 64558336

IUPAC3-(4-bromophenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide
SMILESCCC(C)(CO)NC(=O)CCOc1ccc(Br)cc1
InChIInChI=1S/C14H20BrNO3/c1-3-14(2,10-17)16-13(18)8-9-19-12-6-4-11(15)5-7-12/h4-7,17H,3,8-10H2,1-2H3,(H,16,18)
InChIKeyLSSQXMNRJPGQCA-UHFFFAOYSA-N
MW330.22 g/mol
LogP2.50
Rot. Bonds7

About 3-(4-bromophenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide

3-(4-bromophenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide (PubChem CID 64558336) has the molecular formula C14H20BrNO3 and a molecular weight of 330.22 g/mol. Its IUPAC name is 3-(4-bromophenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name3-(4-bromophenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide
PubChem CID64558336
Molecular FormulaC14H20BrNO3
Molecular Weight330.22 g/mol
Exact Mass329.06
IUPAC Name3-(4-bromophenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide
SMILESCCC(C)(CO)NC(=O)CCOc1ccc(Br)cc1
InChIInChI=1S/C14H20BrNO3/c1-3-14(2,10-17)16-13(18)8-9-19-12-6-4-11(15)5-7-12/h4-7,17H,3,8-10H2,1-2H3,(H,16,18)
InChIKeyLSSQXMNRJPGQCA-UHFFFAOYSA-N
XLogP2.50
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dimethylphenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide
CID 64558151
4-(4-bromophenoxy)-N-[3-(hydroxymethyl)pentan-3-yl]butanamide
CID 62520654
2-[4-(4-bromophenoxy)butanoylamino]-2-methylbutanoic acid
CID 79789268
N-[3-(aminomethyl)pentan-3-yl]-5-(4-bromophenoxy)pentanamide;hydrochloride
CID 119568938
3-(2,4-dimethylphenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide
CID 64556599
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-(4-methoxyphenoxy)propanamide
CID 103602252
3-(4-bromophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide
CID 103825257
N-[2-(4-bromophenoxy)ethyl]-3-methylpentan-3-amine
CID 106328670
3-(4-bromophenoxy)-N-(2-hydroxyethyl)propanamide
CID 43427786
3-(4-bromophenoxy)-N-(1-hydroxypropan-2-yl)propanamide
CID 43427807
N-(1-amino-2,3-dimethylbutan-2-yl)-5-(4-bromophenoxy)pentanamide
CID 119605778
4-bromo-N'-[3-(4-tert-butylphenoxy)propanoyl]benzohydrazide
CID 18272580

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide?
The IUPAC name of 3-(4-bromophenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide (CID 64558336) is 3-(4-bromophenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide.
What is the SMILES notation for 3-(4-bromophenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide?
The canonical SMILES for 3-(4-bromophenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide is CCC(C)(CO)NC(=O)CCOc1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide?
The InChIKey is LSSQXMNRJPGQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO3/c1-3-14(2,10-17)16-13(18)8-9-19-12-6-4-11(15)5-7-12/h4-7,17H,3,8-10H2,1-2H3,(H,16,18).
What are the key properties of 3-(4-bromophenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide?
3-(4-bromophenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide has a molecular weight of 330.22 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide is sourced from PubChem (CID 64558336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).