2-(4-bromo-2,6-dimethylphenoxy)-N-(4-phenylmethoxyphenyl)propanamide

C24H24BrNO3 — CID 4961087

IUPAC2-(4-bromo-2,6-dimethylphenoxy)-N-(4-phenylmethoxyphenyl)propanamide
SMILESCc1cc(Br)cc(C)c1OC(C)C(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H24BrNO3/c1-16-13-20(25)14-17(2)23(16)29-18(3)24(27)26-21-9-11-22(12-10-21)28-15-19-7-5-4-6-8-19/h4-14,18H,15H2,1-3H3,(H,26,27)
InChIKeyGPBSOLSWKXMQDB-UHFFFAOYSA-N
MW454.36 g/mol
LogP6.05
Rot. Bonds7

About 2-(4-bromo-2,6-dimethylphenoxy)-N-(4-phenylmethoxyphenyl)propanamide

2-(4-bromo-2,6-dimethylphenoxy)-N-(4-phenylmethoxyphenyl)propanamide (PubChem CID 4961087) has the molecular formula C24H24BrNO3 and a molecular weight of 454.36 g/mol. Its IUPAC name is 2-(4-bromo-2,6-dimethylphenoxy)-N-(4-phenylmethoxyphenyl)propanamide.

Molecular Properties

Compound Name2-(4-bromo-2,6-dimethylphenoxy)-N-(4-phenylmethoxyphenyl)propanamide
PubChem CID4961087
Molecular FormulaC24H24BrNO3
Molecular Weight454.36 g/mol
Exact Mass453.09
IUPAC Name2-(4-bromo-2,6-dimethylphenoxy)-N-(4-phenylmethoxyphenyl)propanamide
SMILESCc1cc(Br)cc(C)c1OC(C)C(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H24BrNO3/c1-16-13-20(25)14-17(2)23(16)29-18(3)24(27)26-21-9-11-22(12-10-21)28-15-19-7-5-4-6-8-19/h4-14,18H,15H2,1-3H3,(H,26,27)
InChIKeyGPBSOLSWKXMQDB-UHFFFAOYSA-N
XLogP6.05
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.36
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-2-(4-bromo-2,6-dimethylphenoxy)propanamide
CID 4960935
2-(4-bromo-2,6-dimethylphenoxy)-N-[3-[(2-phenoxyacetyl)amino]phenyl]propanamide
CID 17231402
2-(3-methoxyphenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 19203878
(2S)-2-(4-chlorophenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 9233741
N-[4-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]phenyl]-2-methylbenzamide
CID 17251645
2-(4-acetylphenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 4879204
4-[[(2R)-2-(4-phenylmethoxyphenoxy)propanoyl]amino]benzamide
CID 2557704
(2R)-2-(4-cyanophenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 2541572
(2R)-N-(4-phenylmethoxyphenyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 92681869
2-(4-bromo-2,6-dimethylphenoxy)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]propanamide
CID 4961018
(2S)-2-(2,5-dichlorophenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 7185213
N-benzyl-3-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]benzamide
CID 43887141

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,6-dimethylphenoxy)-N-(4-phenylmethoxyphenyl)propanamide?
The IUPAC name of 2-(4-bromo-2,6-dimethylphenoxy)-N-(4-phenylmethoxyphenyl)propanamide (CID 4961087) is 2-(4-bromo-2,6-dimethylphenoxy)-N-(4-phenylmethoxyphenyl)propanamide.
What is the SMILES notation for 2-(4-bromo-2,6-dimethylphenoxy)-N-(4-phenylmethoxyphenyl)propanamide?
The canonical SMILES for 2-(4-bromo-2,6-dimethylphenoxy)-N-(4-phenylmethoxyphenyl)propanamide is Cc1cc(Br)cc(C)c1OC(C)C(=O)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-(4-bromo-2,6-dimethylphenoxy)-N-(4-phenylmethoxyphenyl)propanamide?
The InChIKey is GPBSOLSWKXMQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrNO3/c1-16-13-20(25)14-17(2)23(16)29-18(3)24(27)26-21-9-11-22(12-10-21)28-15-19-7-5-4-6-8-19/h4-14,18H,15H2,1-3H3,(H,26,27).
What are the key properties of 2-(4-bromo-2,6-dimethylphenoxy)-N-(4-phenylmethoxyphenyl)propanamide?
2-(4-bromo-2,6-dimethylphenoxy)-N-(4-phenylmethoxyphenyl)propanamide has a molecular weight of 454.36 g/mol, XLogP of 6.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,6-dimethylphenoxy)-N-(4-phenylmethoxyphenyl)propanamide is sourced from PubChem (CID 4961087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).