3-(4-bromo-2-propan-2-ylphenoxy)propanamide

C12H16BrNO2 — CID 115401946

IUPAC3-(4-bromo-2-propan-2-ylphenoxy)propanamide
SMILESCC(C)c1cc(Br)ccc1OCCC(N)=O
InChIInChI=1S/C12H16BrNO2/c1-8(2)10-7-9(13)3-4-11(10)16-6-5-12(14)15/h3-4,7-8H,5-6H2,1-2H3,(H2,14,15)
InChIKeyRMOZOISVDHRFJW-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.83
Rot. Bonds5

About 3-(4-bromo-2-propan-2-ylphenoxy)propanamide

3-(4-bromo-2-propan-2-ylphenoxy)propanamide (PubChem CID 115401946) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 3-(4-bromo-2-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound Name3-(4-bromo-2-propan-2-ylphenoxy)propanamide
PubChem CID115401946
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name3-(4-bromo-2-propan-2-ylphenoxy)propanamide
SMILESCC(C)c1cc(Br)ccc1OCCC(N)=O
InChIInChI=1S/C12H16BrNO2/c1-8(2)10-7-9(13)3-4-11(10)16-6-5-12(14)15/h3-4,7-8H,5-6H2,1-2H3,(H2,14,15)
InChIKeyRMOZOISVDHRFJW-UHFFFAOYSA-N
XLogP2.83
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromo-2-propan-2-ylphenoxy)-N,N-dimethylpropanamide
CID 115402117
6-(4-bromo-2-propan-2-ylphenoxy)hexan-2-one
CID 113302989
tert-butyl 3-(4-bromo-2-propan-2-ylphenoxy)propanoate
CID 116659255
3-[4-bromo-2-(hydroxymethyl)phenoxy]propanamide
CID 43152589
4-bromo-1-[2-(2-methoxyethoxy)ethoxy]-2-propan-2-ylbenzene
CID 113302957
3-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]-N-methylpropanamide
CID 62392982
3-[2-[(1S)-1-aminoethyl]-4-bromophenoxy]-N-methylpropanamide
CID 55191169
3-[2-[(1R)-1-aminoethyl]-4-bromophenoxy]-N-propan-2-ylpropanamide
CID 55189402
5-(4-bromo-2-propan-2-ylphenoxy)-2,2-dimethylpentanethioamide
CID 115401860
3-[benzyl-[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]propanamide
CID 28642601
4-bromo-1-(2-phenylethoxy)-2-propan-2-ylbenzene
CID 115401938
methyl 3-(4-bromo-2-propan-2-ylphenoxy)-2,2-dimethylpropanoate
CID 113302849

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-propan-2-ylphenoxy)propanamide?
The IUPAC name of 3-(4-bromo-2-propan-2-ylphenoxy)propanamide (CID 115401946) is 3-(4-bromo-2-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for 3-(4-bromo-2-propan-2-ylphenoxy)propanamide?
The canonical SMILES for 3-(4-bromo-2-propan-2-ylphenoxy)propanamide is CC(C)c1cc(Br)ccc1OCCC(N)=O.
What is the InChIKey of 3-(4-bromo-2-propan-2-ylphenoxy)propanamide?
The InChIKey is RMOZOISVDHRFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-8(2)10-7-9(13)3-4-11(10)16-6-5-12(14)15/h3-4,7-8H,5-6H2,1-2H3,(H2,14,15).
What are the key properties of 3-(4-bromo-2-propan-2-ylphenoxy)propanamide?
3-(4-bromo-2-propan-2-ylphenoxy)propanamide has a molecular weight of 286.17 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 115401946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).