2-(4-bromo-3-methylphenoxy)-N-[(2S)-1-hydroxy-3-methoxypropan-2-yl]acetamide

C13H18BrNO4 — CID 166254452

IUPAC2-(4-bromo-3-methylphenoxy)-N-[(2S)-1-hydroxy-3-methoxypropan-2-yl]acetamide
SMILESCOC[C@H](CO)NC(=O)COc1ccc(Br)c(C)c1
InChIInChI=1S/C13H18BrNO4/c1-9-5-11(3-4-12(9)14)19-8-13(17)15-10(6-16)7-18-2/h3-5,10,16H,6-8H2,1-2H3,(H,15,17)/t10-/m0/s1
InChIKeySYOWANRYLNIZJW-JTQLQIEISA-N
MW332.19 g/mol
LogP1.26
Rot. Bonds7

About 2-(4-bromo-3-methylphenoxy)-N-[(2S)-1-hydroxy-3-methoxypropan-2-yl]acetamide

2-(4-bromo-3-methylphenoxy)-N-[(2S)-1-hydroxy-3-methoxypropan-2-yl]acetamide (PubChem CID 166254452) has the molecular formula C13H18BrNO4 and a molecular weight of 332.19 g/mol. Its IUPAC name is 2-(4-bromo-3-methylphenoxy)-N-[(2S)-1-hydroxy-3-methoxypropan-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-3-methylphenoxy)-N-[(2S)-1-hydroxy-3-methoxypropan-2-yl]acetamide
PubChem CID166254452
Molecular FormulaC13H18BrNO4
Molecular Weight332.19 g/mol
Exact Mass331.04
IUPAC Name2-(4-bromo-3-methylphenoxy)-N-[(2S)-1-hydroxy-3-methoxypropan-2-yl]acetamide
SMILESCOC[C@H](CO)NC(=O)COc1ccc(Br)c(C)c1
InChIInChI=1S/C13H18BrNO4/c1-9-5-11(3-4-12(9)14)19-8-13(17)15-10(6-16)7-18-2/h3-5,10,16H,6-8H2,1-2H3,(H,15,17)/t10-/m0/s1
InChIKeySYOWANRYLNIZJW-JTQLQIEISA-N
XLogP1.26
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-3-methylphenoxy)-N-butan-2-ylacetamide
CID 2949556
2-(3-fluorophenoxy)-N-(1-hydroxy-3-methoxypropan-2-yl)acetamide
CID 114078973
N-(1-hydroxy-3-methoxypropan-2-yl)-2-(2-methylphenoxy)acetamide
CID 114078989
2-(4-bromo-3-methylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 28636573
methyl 2-[[2-(4-bromo-3-methylphenoxy)acetyl]amino]-3-phenylpropanoate
CID 17177937
2-(4-bromo-3-methylphenoxy)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]acetamide
CID 99951022
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide
CID 4502708
2-(4-bromo-3-methylphenoxy)-N-(4-methoxyphenyl)acetamide
CID 1010190
N-(1,3-dihydroxypropan-2-yl)-2-(4-methoxyphenoxy)acetamide
CID 65313044
N-(1,3-dihydroxypropan-2-yl)-2-(4-methylphenoxy)acetamide
CID 65312489
2-(4-bromo-3-methylphenoxy)-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 133184316
3-(4-bromo-3-methylphenoxy)-N-propan-2-ylpropanamide
CID 83133367

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylphenoxy)-N-[(2S)-1-hydroxy-3-methoxypropan-2-yl]acetamide?
The IUPAC name of 2-(4-bromo-3-methylphenoxy)-N-[(2S)-1-hydroxy-3-methoxypropan-2-yl]acetamide (CID 166254452) is 2-(4-bromo-3-methylphenoxy)-N-[(2S)-1-hydroxy-3-methoxypropan-2-yl]acetamide.
What is the SMILES notation for 2-(4-bromo-3-methylphenoxy)-N-[(2S)-1-hydroxy-3-methoxypropan-2-yl]acetamide?
The canonical SMILES for 2-(4-bromo-3-methylphenoxy)-N-[(2S)-1-hydroxy-3-methoxypropan-2-yl]acetamide is COC[C@H](CO)NC(=O)COc1ccc(Br)c(C)c1.
What is the InChIKey of 2-(4-bromo-3-methylphenoxy)-N-[(2S)-1-hydroxy-3-methoxypropan-2-yl]acetamide?
The InChIKey is SYOWANRYLNIZJW-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18BrNO4/c1-9-5-11(3-4-12(9)14)19-8-13(17)15-10(6-16)7-18-2/h3-5,10,16H,6-8H2,1-2H3,(H,15,17)/t10-/m0/s1.
What are the key properties of 2-(4-bromo-3-methylphenoxy)-N-[(2S)-1-hydroxy-3-methoxypropan-2-yl]acetamide?
2-(4-bromo-3-methylphenoxy)-N-[(2S)-1-hydroxy-3-methoxypropan-2-yl]acetamide has a molecular weight of 332.19 g/mol, XLogP of 1.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methylphenoxy)-N-[(2S)-1-hydroxy-3-methoxypropan-2-yl]acetamide is sourced from PubChem (CID 166254452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).