2-(2-bromo-4-methoxyphenoxy)-N-butan-2-ylpropanamide

C14H20BrNO3 — CID 104704703

IUPAC2-(2-bromo-4-methoxyphenoxy)-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)C(C)Oc1ccc(OC)cc1Br
InChIInChI=1S/C14H20BrNO3/c1-5-9(2)16-14(17)10(3)19-13-7-6-11(18-4)8-12(13)15/h6-10H,5H2,1-4H3,(H,16,17)
InChIKeyUWSWAPVFTDNWHE-UHFFFAOYSA-N
MW330.22 g/mol
LogP3.14
Rot. Bonds6

About 2-(2-bromo-4-methoxyphenoxy)-N-butan-2-ylpropanamide

2-(2-bromo-4-methoxyphenoxy)-N-butan-2-ylpropanamide (PubChem CID 104704703) has the molecular formula C14H20BrNO3 and a molecular weight of 330.22 g/mol. Its IUPAC name is 2-(2-bromo-4-methoxyphenoxy)-N-butan-2-ylpropanamide.

Molecular Properties

Compound Name2-(2-bromo-4-methoxyphenoxy)-N-butan-2-ylpropanamide
PubChem CID104704703
Molecular FormulaC14H20BrNO3
Molecular Weight330.22 g/mol
Exact Mass329.06
IUPAC Name2-(2-bromo-4-methoxyphenoxy)-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)C(C)Oc1ccc(OC)cc1Br
InChIInChI=1S/C14H20BrNO3/c1-5-9(2)16-14(17)10(3)19-13-7-6-11(18-4)8-12(13)15/h6-10H,5H2,1-4H3,(H,16,17)
InChIKeyUWSWAPVFTDNWHE-UHFFFAOYSA-N
XLogP3.14
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(2S)-butan-2-yl]-2-(2,4-dibromophenoxy)propanamide
CID 1234554
2-(2-bromo-4-formylphenoxy)-N-butan-2-ylpropanamide
CID 60718458
2-(2-acetyl-5-methoxyphenoxy)-N-butan-2-ylpropanamide
CID 115279935
(2R)-N-[(2S)-butan-2-yl]-2-(4-methoxyphenoxy)propanamide
CID 925169
2-(2-bromophenoxy)-N-butan-2-ylpropanamide
CID 43117128
2-(2-bromo-4-methoxyphenoxy)-N-(2-methoxyethyl)propanamide
CID 104707490
(2R)-N-[(2R)-butan-2-yl]-2-(2-methoxyphenoxy)propanamide
CID 9179566
2-(2-bromo-4-fluorophenoxy)-N-pentan-2-ylpropanamide
CID 43112360
2-(4-bromo-2-formylphenoxy)-N-butan-2-ylpropanamide
CID 43112259
2-(2-bromo-4-chlorophenoxy)-N-[1-(2,4-dimethoxyphenyl)ethyl]propanamide
CID 55580167
(2S)-N-[(2S)-butan-2-yl]-2-(2,4-dimethylphenoxy)propanamide
CID 9173478
N-[(2S)-1-aminopropan-2-yl]-2-(2-bromo-4-methylphenoxy)propanamide
CID 120508965

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methoxyphenoxy)-N-butan-2-ylpropanamide?
The IUPAC name of 2-(2-bromo-4-methoxyphenoxy)-N-butan-2-ylpropanamide (CID 104704703) is 2-(2-bromo-4-methoxyphenoxy)-N-butan-2-ylpropanamide.
What is the SMILES notation for 2-(2-bromo-4-methoxyphenoxy)-N-butan-2-ylpropanamide?
The canonical SMILES for 2-(2-bromo-4-methoxyphenoxy)-N-butan-2-ylpropanamide is CCC(C)NC(=O)C(C)Oc1ccc(OC)cc1Br.
What is the InChIKey of 2-(2-bromo-4-methoxyphenoxy)-N-butan-2-ylpropanamide?
The InChIKey is UWSWAPVFTDNWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO3/c1-5-9(2)16-14(17)10(3)19-13-7-6-11(18-4)8-12(13)15/h6-10H,5H2,1-4H3,(H,16,17).
What are the key properties of 2-(2-bromo-4-methoxyphenoxy)-N-butan-2-ylpropanamide?
2-(2-bromo-4-methoxyphenoxy)-N-butan-2-ylpropanamide has a molecular weight of 330.22 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methoxyphenoxy)-N-butan-2-ylpropanamide is sourced from PubChem (CID 104704703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).