2-(2-bromo-6-ethoxy-4-formylphenoxy)butanamide

C13H16BrNO4 — CID 62901389

IUPAC2-(2-bromo-6-ethoxy-4-formylphenoxy)butanamide
SMILESCCOc1cc(C=O)cc(Br)c1OC(CC)C(N)=O
InChIInChI=1S/C13H16BrNO4/c1-3-10(13(15)17)19-12-9(14)5-8(7-16)6-11(12)18-4-2/h5-7,10H,3-4H2,1-2H3,(H2,15,17)
InChIKeyYTQBVXMEXXNDRA-UHFFFAOYSA-N
MW330.18 g/mol
LogP2.30
Rot. Bonds7

About 2-(2-bromo-6-ethoxy-4-formylphenoxy)butanamide

2-(2-bromo-6-ethoxy-4-formylphenoxy)butanamide (PubChem CID 62901389) has the molecular formula C13H16BrNO4 and a molecular weight of 330.18 g/mol. Its IUPAC name is 2-(2-bromo-6-ethoxy-4-formylphenoxy)butanamide.

Molecular Properties

Compound Name2-(2-bromo-6-ethoxy-4-formylphenoxy)butanamide
PubChem CID62901389
Molecular FormulaC13H16BrNO4
Molecular Weight330.18 g/mol
Exact Mass329.03
IUPAC Name2-(2-bromo-6-ethoxy-4-formylphenoxy)butanamide
SMILESCCOc1cc(C=O)cc(Br)c1OC(CC)C(N)=O
InChIInChI=1S/C13H16BrNO4/c1-3-10(13(15)17)19-12-9(14)5-8(7-16)6-11(12)18-4-2/h5-7,10H,3-4H2,1-2H3,(H2,15,17)
InChIKeyYTQBVXMEXXNDRA-UHFFFAOYSA-N
XLogP2.30
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.18
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

ethyl (2R)-2-(2-bromo-6-ethoxy-4-formylphenoxy)propanoate
CID 42573561
2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-carbamoylpropanamide
CID 43627072
2-[4-(2-aminopropyl)-2-bromo-6-ethoxyphenoxy]butanamide
CID 62899307
2-(2-bromo-4-formyl-6-methoxyphenoxy)butanoic acid
CID 64661147
2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-propan-2-ylpropanamide
CID 43627073
4-(1-amino-1-oxobutan-2-yl)oxy-3-bromo-5-methoxybenzoic acid
CID 62899490
2-[4-(aminomethyl)-2-bromo-6-ethoxyphenoxy]butanoic acid
CID 64667110
3-bromo-5-ethoxy-4-(6-hydroxyhexoxy)benzaldehyde
CID 107703888
3-bromo-5-ethoxy-4-(2,2,2-trifluoroethoxy)benzaldehyde
CID 43627010
4-(2-bromo-6-ethoxy-4-formylphenoxy)butanenitrile
CID 43627019
2-(4-bromo-2-formyl-6-methylphenoxy)butanamide
CID 112620734
(2-bromo-6-ethoxy-4-formylphenyl) 3-bromobenzoate
CID 4766839

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-6-ethoxy-4-formylphenoxy)butanamide?
The IUPAC name of 2-(2-bromo-6-ethoxy-4-formylphenoxy)butanamide (CID 62901389) is 2-(2-bromo-6-ethoxy-4-formylphenoxy)butanamide.
What is the SMILES notation for 2-(2-bromo-6-ethoxy-4-formylphenoxy)butanamide?
The canonical SMILES for 2-(2-bromo-6-ethoxy-4-formylphenoxy)butanamide is CCOc1cc(C=O)cc(Br)c1OC(CC)C(N)=O.
What is the InChIKey of 2-(2-bromo-6-ethoxy-4-formylphenoxy)butanamide?
The InChIKey is YTQBVXMEXXNDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO4/c1-3-10(13(15)17)19-12-9(14)5-8(7-16)6-11(12)18-4-2/h5-7,10H,3-4H2,1-2H3,(H2,15,17).
What are the key properties of 2-(2-bromo-6-ethoxy-4-formylphenoxy)butanamide?
2-(2-bromo-6-ethoxy-4-formylphenoxy)butanamide has a molecular weight of 330.18 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-6-ethoxy-4-formylphenoxy)butanamide is sourced from PubChem (CID 62901389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).