N-(2-bromoprop-2-enyl)-2-(2-methoxyphenoxy)acetamide

C12H14BrNO3 — CID 47439278

IUPACN-(2-bromoprop-2-enyl)-2-(2-methoxyphenoxy)acetamide
SMILESC=C(Br)CNC(=O)COc1ccccc1OC
InChIInChI=1S/C12H14BrNO3/c1-9(13)7-14-12(15)8-17-11-6-4-3-5-10(11)16-2/h3-6H,1,7-8H2,2H3,(H,14,15)
InChIKeyWHGLYVOBNWZPBA-UHFFFAOYSA-N
MW300.15 g/mol
LogP2.10
Rot. Bonds6

About N-(2-bromoprop-2-enyl)-2-(2-methoxyphenoxy)acetamide

N-(2-bromoprop-2-enyl)-2-(2-methoxyphenoxy)acetamide (PubChem CID 47439278) has the molecular formula C12H14BrNO3 and a molecular weight of 300.15 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-2-(2-methoxyphenoxy)acetamide
PubChem CID47439278
Molecular FormulaC12H14BrNO3
Molecular Weight300.15 g/mol
Exact Mass299.02
IUPAC NameN-(2-bromoprop-2-enyl)-2-(2-methoxyphenoxy)acetamide
SMILESC=C(Br)CNC(=O)COc1ccccc1OC
InChIInChI=1S/C12H14BrNO3/c1-9(13)7-14-12(15)8-17-11-6-4-3-5-10(11)16-2/h3-6H,1,7-8H2,2H3,(H,14,15)
InChIKeyWHGLYVOBNWZPBA-UHFFFAOYSA-N
XLogP2.10
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.15
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2-methoxyphenoxy)acetyl]amino]-N-(2-methylpropyl)acetamide
CID 49167933
2-[[2-(2-methoxyphenoxy)acetyl]amino]-N-(2-methylphenyl)acetamide
CID 112996058
N-(2-aminopropyl)-2-(2-methoxyphenoxy)acetamide
CID 82354186
2-(2-methoxyphenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102914369
N-(2-ethylbutyl)-2-(2-methoxyphenoxy)acetamide
CID 115612569
N-(2-bromoprop-2-enyl)-2-(4-fluorophenoxy)acetamide
CID 115594704
N-(2-hydroxy-3-methylbutyl)-2-(2-methoxyphenoxy)acetamide
CID 115701647
2-(2-ethoxyphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 8961000
N-hexyl-2-(2-methoxyphenoxy)acetamide
CID 19169780
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 7928589
N-[2-(2-fluorophenyl)ethyl]-2-[[2-(2-methoxyphenoxy)acetyl]amino]acetamide
CID 112993325
N-tert-butyl-2-(2-methoxyphenoxy)acetamide
CID 922262

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-2-(2-methoxyphenoxy)acetamide?
The IUPAC name of N-(2-bromoprop-2-enyl)-2-(2-methoxyphenoxy)acetamide (CID 47439278) is N-(2-bromoprop-2-enyl)-2-(2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-2-(2-methoxyphenoxy)acetamide?
The canonical SMILES for N-(2-bromoprop-2-enyl)-2-(2-methoxyphenoxy)acetamide is C=C(Br)CNC(=O)COc1ccccc1OC.
What is the InChIKey of N-(2-bromoprop-2-enyl)-2-(2-methoxyphenoxy)acetamide?
The InChIKey is WHGLYVOBNWZPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO3/c1-9(13)7-14-12(15)8-17-11-6-4-3-5-10(11)16-2/h3-6H,1,7-8H2,2H3,(H,14,15).
What are the key properties of N-(2-bromoprop-2-enyl)-2-(2-methoxyphenoxy)acetamide?
N-(2-bromoprop-2-enyl)-2-(2-methoxyphenoxy)acetamide has a molecular weight of 300.15 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 47439278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).