2-(2-bromo-4-tert-butylphenoxy)-N-[4-(2-methylpropoxy)phenyl]acetamide

C22H28BrNO3 — CID 17350184

IUPAC2-(2-bromo-4-tert-butylphenoxy)-N-[4-(2-methylpropoxy)phenyl]acetamide
SMILESCC(C)COc1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1
InChIInChI=1S/C22H28BrNO3/c1-15(2)13-26-18-9-7-17(8-10-18)24-21(25)14-27-20-11-6-16(12-19(20)23)22(3,4)5/h6-12,15H,13-14H2,1-5H3,(H,24,25)
InChIKeyHPDFHWSDWVZDIP-UHFFFAOYSA-N
MW434.37 g/mol
LogP5.80
Rot. Bonds7

About 2-(2-bromo-4-tert-butylphenoxy)-N-[4-(2-methylpropoxy)phenyl]acetamide

2-(2-bromo-4-tert-butylphenoxy)-N-[4-(2-methylpropoxy)phenyl]acetamide (PubChem CID 17350184) has the molecular formula C22H28BrNO3 and a molecular weight of 434.37 g/mol. Its IUPAC name is 2-(2-bromo-4-tert-butylphenoxy)-N-[4-(2-methylpropoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-tert-butylphenoxy)-N-[4-(2-methylpropoxy)phenyl]acetamide
PubChem CID17350184
Molecular FormulaC22H28BrNO3
Molecular Weight434.37 g/mol
Exact Mass433.13
IUPAC Name2-(2-bromo-4-tert-butylphenoxy)-N-[4-(2-methylpropoxy)phenyl]acetamide
SMILESCC(C)COc1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1
InChIInChI=1S/C22H28BrNO3/c1-15(2)13-26-18-9-7-17(8-10-18)24-21(25)14-27-20-11-6-16(12-19(20)23)22(3,4)5/h6-12,15H,13-14H2,1-5H3,(H,24,25)
InChIKeyHPDFHWSDWVZDIP-UHFFFAOYSA-N
XLogP5.80
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.37
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-4-tert-butylphenoxy)-N-[4-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]phenyl]acetamide
CID 17350659
N-[4-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]phenyl]-3-methylbutanamide
CID 17194089
N-[4-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]phenyl]butanamide
CID 17202547
N-[4-[acetyl(methyl)amino]phenyl]-2-(2-bromo-4-tert-butylphenoxy)acetamide
CID 17350095
3-[4-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]phenyl]-N-methylpropanamide
CID 54780608
2-bromo-4-tert-butyl-1-(2-methylpropoxy)benzene
CID 176513448
2-(2-bromo-4-tert-butylphenoxy)-N-(4-piperidin-1-ylphenyl)acetamide
CID 100513139
3-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]benzoic acid
CID 54855870
2-(2-bromo-4-tert-butylphenoxy)-N-[4-[9-[4-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]phenyl]fluoren-9-yl]phenyl]acetamide
CID 17350672
2-(4-methoxyphenoxy)-N-[4-(2-methylpropoxy)phenyl]acetamide
CID 4940606
2-(2,4-dibromophenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 2788023
2-(2-bromo-4-tert-butylphenoxy)-N-(2-propan-2-yloxyphenyl)acetamide
CID 17150986

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-tert-butylphenoxy)-N-[4-(2-methylpropoxy)phenyl]acetamide?
The IUPAC name of 2-(2-bromo-4-tert-butylphenoxy)-N-[4-(2-methylpropoxy)phenyl]acetamide (CID 17350184) is 2-(2-bromo-4-tert-butylphenoxy)-N-[4-(2-methylpropoxy)phenyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-tert-butylphenoxy)-N-[4-(2-methylpropoxy)phenyl]acetamide?
The canonical SMILES for 2-(2-bromo-4-tert-butylphenoxy)-N-[4-(2-methylpropoxy)phenyl]acetamide is CC(C)COc1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1.
What is the InChIKey of 2-(2-bromo-4-tert-butylphenoxy)-N-[4-(2-methylpropoxy)phenyl]acetamide?
The InChIKey is HPDFHWSDWVZDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28BrNO3/c1-15(2)13-26-18-9-7-17(8-10-18)24-21(25)14-27-20-11-6-16(12-19(20)23)22(3,4)5/h6-12,15H,13-14H2,1-5H3,(H,24,25).
What are the key properties of 2-(2-bromo-4-tert-butylphenoxy)-N-[4-(2-methylpropoxy)phenyl]acetamide?
2-(2-bromo-4-tert-butylphenoxy)-N-[4-(2-methylpropoxy)phenyl]acetamide has a molecular weight of 434.37 g/mol, XLogP of 5.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-tert-butylphenoxy)-N-[4-(2-methylpropoxy)phenyl]acetamide is sourced from PubChem (CID 17350184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).