2-(4-bromo-2-propan-2-ylphenoxy)-N-(3-methylbutyl)acetamide

C16H24BrNO2 — CID 115401978

IUPAC2-(4-bromo-2-propan-2-ylphenoxy)-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)COc1ccc(Br)cc1C(C)C
InChIInChI=1S/C16H24BrNO2/c1-11(2)7-8-18-16(19)10-20-15-6-5-13(17)9-14(15)12(3)4/h5-6,9,11-12H,7-8,10H2,1-4H3,(H,18,19)
InChIKeyCUGFJBBVSCPXFT-UHFFFAOYSA-N
MW342.28 g/mol
LogP4.11
Rot. Bonds7

About 2-(4-bromo-2-propan-2-ylphenoxy)-N-(3-methylbutyl)acetamide

2-(4-bromo-2-propan-2-ylphenoxy)-N-(3-methylbutyl)acetamide (PubChem CID 115401978) has the molecular formula C16H24BrNO2 and a molecular weight of 342.28 g/mol. Its IUPAC name is 2-(4-bromo-2-propan-2-ylphenoxy)-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-propan-2-ylphenoxy)-N-(3-methylbutyl)acetamide
PubChem CID115401978
Molecular FormulaC16H24BrNO2
Molecular Weight342.28 g/mol
Exact Mass341.10
IUPAC Name2-(4-bromo-2-propan-2-ylphenoxy)-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)COc1ccc(Br)cc1C(C)C
InChIInChI=1S/C16H24BrNO2/c1-11(2)7-8-18-16(19)10-20-15-6-5-13(17)9-14(15)12(3)4/h5-6,9,11-12H,7-8,10H2,1-4H3,(H,18,19)
InChIKeyCUGFJBBVSCPXFT-UHFFFAOYSA-N
XLogP4.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-bromo-2-propan-2-ylphenoxy)-N-(3-methylbutyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]-N-(3-methylbutyl)acetamide
CID 63365838
2-(4-bromo-2-fluorophenoxy)-N-(3-methylbutyl)acetamide
CID 78766268
2-[2-[(1R)-1-aminoethyl]-5-bromophenoxy]-N-(3-methylbutyl)acetamide
CID 102946796
2-[2-(2-aminoethyl)-4-bromophenoxy]-N-(3-methylbutyl)acetamide
CID 61487161
2-[4-bromo-2-[(1R)-1-hydroxyethyl]phenoxy]-N-propylacetamide
CID 63365818
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-(4-bromo-2-propan-2-ylphenoxy)acetohydrazide
CID 17189105
2-(4-bromo-2-propan-2-ylphenoxy)-N-(3-methylbutan-2-yl)acetamide
CID 115401934
2-(4-amino-5-methyl-2-propan-2-ylphenoxy)-N-(3-methylbutyl)acetamide
CID 65216681
2-[2-(1-aminoethyl)-4-bromophenoxy]-N-propylacetamide
CID 62369378
2-(4-bromophenoxy)-N-(3-methylbutyl)acetamide
CID 60625494
2-(4-bromo-2-propan-2-ylphenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 17188857
2-[2-(1-aminoethyl)-4-methylphenoxy]-N-(3-methylbutyl)acetamide
CID 61486605

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-propan-2-ylphenoxy)-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-(4-bromo-2-propan-2-ylphenoxy)-N-(3-methylbutyl)acetamide (CID 115401978) is 2-(4-bromo-2-propan-2-ylphenoxy)-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-propan-2-ylphenoxy)-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-(4-bromo-2-propan-2-ylphenoxy)-N-(3-methylbutyl)acetamide is CC(C)CCNC(=O)COc1ccc(Br)cc1C(C)C.
What is the InChIKey of 2-(4-bromo-2-propan-2-ylphenoxy)-N-(3-methylbutyl)acetamide?
The InChIKey is CUGFJBBVSCPXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO2/c1-11(2)7-8-18-16(19)10-20-15-6-5-13(17)9-14(15)12(3)4/h5-6,9,11-12H,7-8,10H2,1-4H3,(H,18,19).
What are the key properties of 2-(4-bromo-2-propan-2-ylphenoxy)-N-(3-methylbutyl)acetamide?
2-(4-bromo-2-propan-2-ylphenoxy)-N-(3-methylbutyl)acetamide has a molecular weight of 342.28 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-propan-2-ylphenoxy)-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 115401978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).