3-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]-N-cyclopropylpropanamide

C14H18BrNO4 — CID 62627586

IUPAC3-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]-N-cyclopropylpropanamide
SMILESCOc1cc(CO)cc(Br)c1OCCC(=O)NC1CC1
InChIInChI=1S/C14H18BrNO4/c1-19-12-7-9(8-17)6-11(15)14(12)20-5-4-13(18)16-10-2-3-10/h6-7,10,17H,2-5,8H2,1H3,(H,16,18)
InChIKeyOXZOSPKQLUOFIC-UHFFFAOYSA-N
MW344.21 g/mol
LogP2.00
Rot. Bonds7

About 3-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]-N-cyclopropylpropanamide

3-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]-N-cyclopropylpropanamide (PubChem CID 62627586) has the molecular formula C14H18BrNO4 and a molecular weight of 344.21 g/mol. Its IUPAC name is 3-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]-N-cyclopropylpropanamide
PubChem CID62627586
Molecular FormulaC14H18BrNO4
Molecular Weight344.21 g/mol
Exact Mass343.04
IUPAC Name3-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]-N-cyclopropylpropanamide
SMILESCOc1cc(CO)cc(Br)c1OCCC(=O)NC1CC1
InChIInChI=1S/C14H18BrNO4/c1-19-12-7-9(8-17)6-11(15)14(12)20-5-4-13(18)16-10-2-3-10/h6-7,10,17H,2-5,8H2,1H3,(H,16,18)
InChIKeyOXZOSPKQLUOFIC-UHFFFAOYSA-N
XLogP2.00
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(2-aminoethyl)-2-bromo-6-methoxyphenoxy]-N-cyclopropylpropanamide
CID 62628137
N-cyclopropyl-3-[2,6-difluoro-4-(hydroxymethyl)phenoxy]propanamide
CID 79887944
N-cyclopropyl-3-(4-formyl-2,6-dimethoxyphenoxy)propanamide
CID 62627393
methyl 2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]acetate
CID 43622677
[3-bromo-4-[2-(dimethylamino)ethoxy]-5-methoxyphenyl]methanol
CID 43622685
2-(3-bromo-4-methoxyphenyl)-N-cyclopropylacetamide
CID 110767767
3-[2-bromo-6-ethoxy-4-(hydroxymethyl)phenoxy]-N-methylpropanamide
CID 62325547
2-[2-bromo-4-[(cyclopropylamino)methyl]-6-methoxyphenoxy]-N-methylacetamide
CID 43622417
3-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]-N-cyclopropylpropanamide
CID 112620994
3-(3-bromo-4-methoxyphenyl)-N-(4-methylcyclohexyl)propanamide
CID 46567913
2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]-N-(2-methylbutan-2-yl)acetamide
CID 61486376
3-[(3-bromo-4-methoxyphenyl)methylamino]-N-cyclopropylpropanamide
CID 78977857

Frequently Asked Questions

What is the IUPAC name of 3-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]-N-cyclopropylpropanamide?
The IUPAC name of 3-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]-N-cyclopropylpropanamide (CID 62627586) is 3-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]-N-cyclopropylpropanamide.
What is the SMILES notation for 3-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]-N-cyclopropylpropanamide?
The canonical SMILES for 3-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]-N-cyclopropylpropanamide is COc1cc(CO)cc(Br)c1OCCC(=O)NC1CC1.
What is the InChIKey of 3-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]-N-cyclopropylpropanamide?
The InChIKey is OXZOSPKQLUOFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO4/c1-19-12-7-9(8-17)6-11(15)14(12)20-5-4-13(18)16-10-2-3-10/h6-7,10,17H,2-5,8H2,1H3,(H,16,18).
What are the key properties of 3-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]-N-cyclopropylpropanamide?
3-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]-N-cyclopropylpropanamide has a molecular weight of 344.21 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]-N-cyclopropylpropanamide is sourced from PubChem (CID 62627586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).