N-[5-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]-2-methylphenyl]propanamide

C21H25BrN2O3 — CID 46761161

IUPACN-[5-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]-2-methylphenyl]propanamide
SMILESCCC(=O)Nc1cc(NC(=O)COc2ccc(Br)cc2C(C)C)ccc1C
InChIInChI=1S/C21H25BrN2O3/c1-5-20(25)24-18-11-16(8-6-14(18)4)23-21(26)12-27-19-9-7-15(22)10-17(19)13(2)3/h6-11,13H,5,12H2,1-4H3,(H,23,26)(H,24,25)
InChIKeyGAMHQLHDGLWUON-UHFFFAOYSA-N
MW433.35 g/mol
LogP5.25
Rot. Bonds7

About N-[5-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]-2-methylphenyl]propanamide

N-[5-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]-2-methylphenyl]propanamide (PubChem CID 46761161) has the molecular formula C21H25BrN2O3 and a molecular weight of 433.35 g/mol. Its IUPAC name is N-[5-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]-2-methylphenyl]propanamide.

Molecular Properties

Compound NameN-[5-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]-2-methylphenyl]propanamide
PubChem CID46761161
Molecular FormulaC21H25BrN2O3
Molecular Weight433.35 g/mol
Exact Mass432.10
IUPAC NameN-[5-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]-2-methylphenyl]propanamide
SMILESCCC(=O)Nc1cc(NC(=O)COc2ccc(Br)cc2C(C)C)ccc1C
InChIInChI=1S/C21H25BrN2O3/c1-5-20(25)24-18-11-16(8-6-14(18)4)23-21(26)12-27-19-9-7-15(22)10-17(19)13(2)3/h6-11,13H,5,12H2,1-4H3,(H,23,26)(H,24,25)
InChIKeyGAMHQLHDGLWUON-UHFFFAOYSA-N
XLogP5.25
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.35
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-propan-2-ylphenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 17188857
N-(3-bromophenyl)-2-(4-bromo-2-propan-2-ylphenoxy)acetamide
CID 17252223
N-(3-acetamido-4-methylphenyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 54777114
N-[3-[[2-(4-ethoxyphenoxy)acetyl]amino]-4-methylphenyl]propanamide
CID 46487344
N-[3-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide
CID 17189024
N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]-4-methylphenyl]propanamide
CID 46487441
N-[5-[[2-(2,3-dimethylphenoxy)acetyl]amino]-2-methylphenyl]propanamide
CID 46761130
2-(4-bromo-2-propan-2-ylphenoxy)-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 17188963
2-(4-bromo-2-propan-2-ylphenoxy)-N-(2-fluorophenyl)acetamide
CID 17188911
2-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]-N-propan-2-ylbenzamide
CID 17188944
2-(4-bromo-2-propan-2-ylphenoxy)-N-[4-(tert-butylsulfamoyl)phenyl]acetamide
CID 17188894
2-(4-bromo-2-propan-2-ylphenoxy)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 19202727

Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]-2-methylphenyl]propanamide?
The IUPAC name of N-[5-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]-2-methylphenyl]propanamide (CID 46761161) is N-[5-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]-2-methylphenyl]propanamide.
What is the SMILES notation for N-[5-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]-2-methylphenyl]propanamide?
The canonical SMILES for N-[5-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]-2-methylphenyl]propanamide is CCC(=O)Nc1cc(NC(=O)COc2ccc(Br)cc2C(C)C)ccc1C.
What is the InChIKey of N-[5-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]-2-methylphenyl]propanamide?
The InChIKey is GAMHQLHDGLWUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrN2O3/c1-5-20(25)24-18-11-16(8-6-14(18)4)23-21(26)12-27-19-9-7-15(22)10-17(19)13(2)3/h6-11,13H,5,12H2,1-4H3,(H,23,26)(H,24,25).
What are the key properties of N-[5-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]-2-methylphenyl]propanamide?
N-[5-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]-2-methylphenyl]propanamide has a molecular weight of 433.35 g/mol, XLogP of 5.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]-2-methylphenyl]propanamide is sourced from PubChem (CID 46761161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).