2-(4-bromo-2-methylphenoxy)-N-[4-(2-cyclohexylethoxy)phenyl]acetamide

C23H28BrNO3 — CID 17137684

IUPAC2-(4-bromo-2-methylphenoxy)-N-[4-(2-cyclohexylethoxy)phenyl]acetamide
SMILESCc1cc(Br)ccc1OCC(=O)Nc1ccc(OCCC2CCCCC2)cc1
InChIInChI=1S/C23H28BrNO3/c1-17-15-19(24)7-12-22(17)28-16-23(26)25-20-8-10-21(11-9-20)27-14-13-18-5-3-2-4-6-18/h7-12,15,18H,2-6,13-14,16H2,1H3,(H,25,26)
InChIKeyIXKYQEVARWPWLW-UHFFFAOYSA-N
MW446.39 g/mol
LogP6.12
Rot. Bonds8

About 2-(4-bromo-2-methylphenoxy)-N-[4-(2-cyclohexylethoxy)phenyl]acetamide

2-(4-bromo-2-methylphenoxy)-N-[4-(2-cyclohexylethoxy)phenyl]acetamide (PubChem CID 17137684) has the molecular formula C23H28BrNO3 and a molecular weight of 446.39 g/mol. Its IUPAC name is 2-(4-bromo-2-methylphenoxy)-N-[4-(2-cyclohexylethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-methylphenoxy)-N-[4-(2-cyclohexylethoxy)phenyl]acetamide
PubChem CID17137684
Molecular FormulaC23H28BrNO3
Molecular Weight446.39 g/mol
Exact Mass445.13
IUPAC Name2-(4-bromo-2-methylphenoxy)-N-[4-(2-cyclohexylethoxy)phenyl]acetamide
SMILESCc1cc(Br)ccc1OCC(=O)Nc1ccc(OCCC2CCCCC2)cc1
InChIInChI=1S/C23H28BrNO3/c1-17-15-19(24)7-12-22(17)28-16-23(26)25-20-8-10-21(11-9-20)27-14-13-18-5-3-2-4-6-18/h7-12,15,18H,2-6,13-14,16H2,1H3,(H,25,26)
InChIKeyIXKYQEVARWPWLW-UHFFFAOYSA-N
XLogP6.12
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.39
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-methylphenoxy)-N-[4-(cyclohexylsulfamoyl)phenyl]acetamide
CID 4627515
N-[4-(2-cyclohexylethoxy)phenyl]propanamide
CID 17137644
2-(4-bromo-2-methylphenoxy)-N-[4-[[4-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]phenyl]methyl]phenyl]acetamide
CID 5180817
N-[4-(2-cyclohexylethoxy)phenyl]-2-(2-methylphenyl)acetamide
CID 26163422
2-(4-bromo-2-methylphenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 695854
N-(4-anilinophenyl)-2-(4-bromo-2-methylphenoxy)acetamide
CID 1013861
2-(4-bromo-2-methylphenoxy)-N-[3-(2-methoxyethoxy)phenyl]acetamide
CID 17169811
2-(4-bromo-2-methylphenoxy)-N-(3-propoxyphenyl)acetamide
CID 17096701
cyclohexyl 2-(4-bromo-2-methylphenoxy)acetate
CID 4925253
3-[4-(2-cyclohexylethoxy)phenyl]-1-methoxy-1-methylurea
CID 23275933
N-[4-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]phenyl]-3-phenylpropanamide
CID 17233521
3-cyclohexyl-N-(4-propoxyphenyl)propanamide
CID 110493363

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylphenoxy)-N-[4-(2-cyclohexylethoxy)phenyl]acetamide?
The IUPAC name of 2-(4-bromo-2-methylphenoxy)-N-[4-(2-cyclohexylethoxy)phenyl]acetamide (CID 17137684) is 2-(4-bromo-2-methylphenoxy)-N-[4-(2-cyclohexylethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(4-bromo-2-methylphenoxy)-N-[4-(2-cyclohexylethoxy)phenyl]acetamide?
The canonical SMILES for 2-(4-bromo-2-methylphenoxy)-N-[4-(2-cyclohexylethoxy)phenyl]acetamide is Cc1cc(Br)ccc1OCC(=O)Nc1ccc(OCCC2CCCCC2)cc1.
What is the InChIKey of 2-(4-bromo-2-methylphenoxy)-N-[4-(2-cyclohexylethoxy)phenyl]acetamide?
The InChIKey is IXKYQEVARWPWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28BrNO3/c1-17-15-19(24)7-12-22(17)28-16-23(26)25-20-8-10-21(11-9-20)27-14-13-18-5-3-2-4-6-18/h7-12,15,18H,2-6,13-14,16H2,1H3,(H,25,26).
What are the key properties of 2-(4-bromo-2-methylphenoxy)-N-[4-(2-cyclohexylethoxy)phenyl]acetamide?
2-(4-bromo-2-methylphenoxy)-N-[4-(2-cyclohexylethoxy)phenyl]acetamide has a molecular weight of 446.39 g/mol, XLogP of 6.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylphenoxy)-N-[4-(2-cyclohexylethoxy)phenyl]acetamide is sourced from PubChem (CID 17137684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).