2-(2-bromo-4-formylphenoxy)-N-(3-methoxypropyl)propanamide

C14H18BrNO4 — CID 60718482

IUPAC2-(2-bromo-4-formylphenoxy)-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)Oc1ccc(C=O)cc1Br
InChIInChI=1S/C14H18BrNO4/c1-10(14(18)16-6-3-7-19-2)20-13-5-4-11(9-17)8-12(13)15/h4-5,8-10H,3,6-7H2,1-2H3,(H,16,18)
InChIKeyAQOPWOQTOUWARE-UHFFFAOYSA-N
MW344.21 g/mol
LogP2.18
Rot. Bonds8

About 2-(2-bromo-4-formylphenoxy)-N-(3-methoxypropyl)propanamide

2-(2-bromo-4-formylphenoxy)-N-(3-methoxypropyl)propanamide (PubChem CID 60718482) has the molecular formula C14H18BrNO4 and a molecular weight of 344.21 g/mol. Its IUPAC name is 2-(2-bromo-4-formylphenoxy)-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name2-(2-bromo-4-formylphenoxy)-N-(3-methoxypropyl)propanamide
PubChem CID60718482
Molecular FormulaC14H18BrNO4
Molecular Weight344.21 g/mol
Exact Mass343.04
IUPAC Name2-(2-bromo-4-formylphenoxy)-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)Oc1ccc(C=O)cc1Br
InChIInChI=1S/C14H18BrNO4/c1-10(14(18)16-6-3-7-19-2)20-13-5-4-11(9-17)8-12(13)15/h4-5,8-10H,3,6-7H2,1-2H3,(H,16,18)
InChIKeyAQOPWOQTOUWARE-UHFFFAOYSA-N
XLogP2.18
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-formyl-2-methoxyphenoxy)-N-(3-methoxypropyl)propanamide
CID 43112242
2-[4-(aminomethyl)-2-bromophenoxy]-N-(3-methoxypropyl)propanamide
CID 63046345
2-(2-bromophenoxy)-N-(3-methoxypropyl)propanamide
CID 43117125
2-(2-bromo-4-formylphenoxy)-N-butan-2-ylpropanamide
CID 60718458
2-(4-bromo-2-methylphenoxy)-N-(3-methoxypropyl)propanamide
CID 55163269
2-(2-bromo-4-methoxyphenoxy)-N-(2-methoxyethyl)propanamide
CID 104707490
2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-(3-methoxypropyl)propanamide
CID 43125633
3-bromo-4-(2-methoxyethoxy)benzaldehyde
CID 60698673
2-(4-formyl-2-methoxyphenoxy)-N-(3-methylbutyl)propanamide
CID 43112243
2-(4-bromophenoxy)-N-(3-methoxypropyl)propanamide
CID 43083158
N-ethyl-2-(5-formyl-2-methoxyphenoxy)propanamide
CID 43085567
2-(2-bromo-4-methylphenoxy)-N-(3-hydroxypropyl)propanamide
CID 78888648

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-formylphenoxy)-N-(3-methoxypropyl)propanamide?
The IUPAC name of 2-(2-bromo-4-formylphenoxy)-N-(3-methoxypropyl)propanamide (CID 60718482) is 2-(2-bromo-4-formylphenoxy)-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 2-(2-bromo-4-formylphenoxy)-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 2-(2-bromo-4-formylphenoxy)-N-(3-methoxypropyl)propanamide is COCCCNC(=O)C(C)Oc1ccc(C=O)cc1Br.
What is the InChIKey of 2-(2-bromo-4-formylphenoxy)-N-(3-methoxypropyl)propanamide?
The InChIKey is AQOPWOQTOUWARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO4/c1-10(14(18)16-6-3-7-19-2)20-13-5-4-11(9-17)8-12(13)15/h4-5,8-10H,3,6-7H2,1-2H3,(H,16,18).
What are the key properties of 2-(2-bromo-4-formylphenoxy)-N-(3-methoxypropyl)propanamide?
2-(2-bromo-4-formylphenoxy)-N-(3-methoxypropyl)propanamide has a molecular weight of 344.21 g/mol, XLogP of 2.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-formylphenoxy)-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 60718482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).