2-(2-bromo-4-methoxyphenoxy)-N-(2-methoxyethyl)propanamide

C13H18BrNO4 — CID 104707490

IUPAC2-(2-bromo-4-methoxyphenoxy)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)Oc1ccc(OC)cc1Br
InChIInChI=1S/C13H18BrNO4/c1-9(13(16)15-6-7-17-2)19-12-5-4-10(18-3)8-11(12)14/h4-5,8-9H,6-7H2,1-3H3,(H,15,16)
InChIKeyDJUADANUMLEUTP-UHFFFAOYSA-N
MW332.19 g/mol
LogP1.99
Rot. Bonds7

About 2-(2-bromo-4-methoxyphenoxy)-N-(2-methoxyethyl)propanamide

2-(2-bromo-4-methoxyphenoxy)-N-(2-methoxyethyl)propanamide (PubChem CID 104707490) has the molecular formula C13H18BrNO4 and a molecular weight of 332.19 g/mol. Its IUPAC name is 2-(2-bromo-4-methoxyphenoxy)-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-(2-bromo-4-methoxyphenoxy)-N-(2-methoxyethyl)propanamide
PubChem CID104707490
Molecular FormulaC13H18BrNO4
Molecular Weight332.19 g/mol
Exact Mass331.04
IUPAC Name2-(2-bromo-4-methoxyphenoxy)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)Oc1ccc(OC)cc1Br
InChIInChI=1S/C13H18BrNO4/c1-9(13(16)15-6-7-17-2)19-12-5-4-10(18-3)8-11(12)14/h4-5,8-9H,6-7H2,1-3H3,(H,15,16)
InChIKeyDJUADANUMLEUTP-UHFFFAOYSA-N
XLogP1.99
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(1-hydroxyethyl)-5-methoxyphenoxy]-N-(2-methoxyethyl)propanamide
CID 82003316
(2S)-N-(2-methoxyethyl)-2-(7-methoxynaphthalen-2-yl)oxypropanamide
CID 8949228
2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-(2-methoxyethyl)propanamide
CID 43088984
2-(2-bromo-4-methoxyphenoxy)-N-butan-2-ylpropanamide
CID 104704703
2-(3-amino-4-methoxyphenoxy)-N-(2-methoxyethyl)propanamide
CID 103201194
2-(2-bromo-4-methoxyphenoxy)-N-(furan-2-ylmethyl)propanamide
CID 104707302
2-(2-bromo-4-methylphenoxy)-N-[(2,5-dimethoxyphenyl)methyl]propanamide
CID 47047009
2-(2-bromo-4-formylphenoxy)-N-(3-methoxypropyl)propanamide
CID 60718482
2-[4-(aminomethyl)-2-bromophenoxy]-N-(3-methoxypropyl)propanamide
CID 63046345
2-(2-bromophenoxy)-N-(3-methoxypropyl)propanamide
CID 43117125
2-(4-bromo-2-methylphenoxy)-N-(3-methoxypropyl)propanamide
CID 55163269
2-[2-(1-aminoethyl)-5-bromophenoxy]-N-(2-methoxyethyl)propanamide
CID 102946475

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methoxyphenoxy)-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-(2-bromo-4-methoxyphenoxy)-N-(2-methoxyethyl)propanamide (CID 104707490) is 2-(2-bromo-4-methoxyphenoxy)-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-(2-bromo-4-methoxyphenoxy)-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-(2-bromo-4-methoxyphenoxy)-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)Oc1ccc(OC)cc1Br.
What is the InChIKey of 2-(2-bromo-4-methoxyphenoxy)-N-(2-methoxyethyl)propanamide?
The InChIKey is DJUADANUMLEUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO4/c1-9(13(16)15-6-7-17-2)19-12-5-4-10(18-3)8-11(12)14/h4-5,8-9H,6-7H2,1-3H3,(H,15,16).
What are the key properties of 2-(2-bromo-4-methoxyphenoxy)-N-(2-methoxyethyl)propanamide?
2-(2-bromo-4-methoxyphenoxy)-N-(2-methoxyethyl)propanamide has a molecular weight of 332.19 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methoxyphenoxy)-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 104707490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).