2-(3-bromophenoxy)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide

C14H20BrNO3 — CID 103782426

IUPAC2-(3-bromophenoxy)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide
SMILESCC(C)C(CCO)NC(=O)COc1cccc(Br)c1
InChIInChI=1S/C14H20BrNO3/c1-10(2)13(6-7-17)16-14(18)9-19-12-5-3-4-11(15)8-12/h3-5,8,10,13,17H,6-7,9H2,1-2H3,(H,16,18)
InChIKeyMUZZCVYUKWHEOW-UHFFFAOYSA-N
MW330.22 g/mol
LogP2.35
Rot. Bonds7

About 2-(3-bromophenoxy)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide

2-(3-bromophenoxy)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide (PubChem CID 103782426) has the molecular formula C14H20BrNO3 and a molecular weight of 330.22 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide
PubChem CID103782426
Molecular FormulaC14H20BrNO3
Molecular Weight330.22 g/mol
Exact Mass329.06
IUPAC Name2-(3-bromophenoxy)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide
SMILESCC(C)C(CCO)NC(=O)COc1cccc(Br)c1
InChIInChI=1S/C14H20BrNO3/c1-10(2)13(6-7-17)16-14(18)9-19-12-5-3-4-11(15)8-12/h3-5,8,10,13,17H,6-7,9H2,1-2H3,(H,16,18)
InChIKeyMUZZCVYUKWHEOW-UHFFFAOYSA-N
XLogP2.35
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-bromophenoxy)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide
CID 103782567
N-(1-hydroxy-4-methylpentan-3-yl)-2-phenoxyacetamide
CID 103750843
2-(3-bromophenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
CID 103940873
2-[[2-(3-bromophenoxy)acetyl]amino]-4-hydroxybutanoic acid
CID 61243301
2-[[2-(3-bromophenoxy)acetyl]amino]-3-methylbutanoic acid
CID 3530351
2-(3-bromophenoxy)-N-[(1S)-1-(4-bromophenyl)ethyl]acetamide
CID 7948924
(2R)-2-[[2-(3-bromophenoxy)acetyl]amino]-3,3-dimethylbutanoic acid
CID 103926914
2-(3-bromophenoxy)-N-methoxyacetamide
CID 60700558
2-[[2-(3-bromophenoxy)acetyl]amino]butanoic acid
CID 43387178
2-[[2-(3-bromophenoxy)acetyl]amino]-3-methylpentanamide
CID 78773270
N-(1-bromo-4-methylpentan-3-yl)-2-phenoxyacetamide
CID 106355216
2-(3-fluorophenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79252060

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide?
The IUPAC name of 2-(3-bromophenoxy)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide (CID 103782426) is 2-(3-bromophenoxy)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide.
What is the SMILES notation for 2-(3-bromophenoxy)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide?
The canonical SMILES for 2-(3-bromophenoxy)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide is CC(C)C(CCO)NC(=O)COc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenoxy)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide?
The InChIKey is MUZZCVYUKWHEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO3/c1-10(2)13(6-7-17)16-14(18)9-19-12-5-3-4-11(15)8-12/h3-5,8,10,13,17H,6-7,9H2,1-2H3,(H,16,18).
What are the key properties of 2-(3-bromophenoxy)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide?
2-(3-bromophenoxy)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide has a molecular weight of 330.22 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide is sourced from PubChem (CID 103782426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).