2-(4-bromo-2,6-dimethylphenoxy)-N-(4-pentoxyphenyl)acetamide

C21H26BrNO3 — CID 19175449

IUPAC2-(4-bromo-2,6-dimethylphenoxy)-N-(4-pentoxyphenyl)acetamide
SMILESCCCCCOc1ccc(NC(=O)COc2c(C)cc(Br)cc2C)cc1
InChIInChI=1S/C21H26BrNO3/c1-4-5-6-11-25-19-9-7-18(8-10-19)23-20(24)14-26-21-15(2)12-17(22)13-16(21)3/h7-10,12-13H,4-6,11,14H2,1-3H3,(H,23,24)
InChIKeyBYOKXRVFWDYXNY-UHFFFAOYSA-N
MW420.35 g/mol
LogP5.65
Rot. Bonds9

About 2-(4-bromo-2,6-dimethylphenoxy)-N-(4-pentoxyphenyl)acetamide

2-(4-bromo-2,6-dimethylphenoxy)-N-(4-pentoxyphenyl)acetamide (PubChem CID 19175449) has the molecular formula C21H26BrNO3 and a molecular weight of 420.35 g/mol. Its IUPAC name is 2-(4-bromo-2,6-dimethylphenoxy)-N-(4-pentoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2,6-dimethylphenoxy)-N-(4-pentoxyphenyl)acetamide
PubChem CID19175449
Molecular FormulaC21H26BrNO3
Molecular Weight420.35 g/mol
Exact Mass419.11
IUPAC Name2-(4-bromo-2,6-dimethylphenoxy)-N-(4-pentoxyphenyl)acetamide
SMILESCCCCCOc1ccc(NC(=O)COc2c(C)cc(Br)cc2C)cc1
InChIInChI=1S/C21H26BrNO3/c1-4-5-6-11-25-19-9-7-18(8-10-19)23-20(24)14-26-21-15(2)12-17(22)13-16(21)3/h7-10,12-13H,4-6,11,14H2,1-3H3,(H,23,24)
InChIKeyBYOKXRVFWDYXNY-UHFFFAOYSA-N
XLogP5.65
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.35
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

butyl 4-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]benzoate
CID 19175460
N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-4-hexoxybenzohydrazide
CID 4930820
2-(4-bromo-2,6-dimethylphenoxy)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide
CID 17097648
N-(3-butoxyphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 17095038
2-(2,4-dimethylphenoxy)-N-(4-pentoxyphenyl)acetamide
CID 19166514
ethyl 4-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]benzoate
CID 3337210
2-(4-butoxyphenoxy)-N-(4-methylphenyl)acetamide
CID 4732728
N-(4-butoxyphenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide
CID 19178102
2-(2,4-dibromo-6-methylphenoxy)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide
CID 17097631
4-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]-N,N-dipropylbenzamide
CID 17196160
N-(4-decoxyphenyl)butanamide
CID 143303175
2-(4-bromo-2-tert-butylphenoxy)-N-(4-hexoxyphenyl)acetamide
CID 17051658

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,6-dimethylphenoxy)-N-(4-pentoxyphenyl)acetamide?
The IUPAC name of 2-(4-bromo-2,6-dimethylphenoxy)-N-(4-pentoxyphenyl)acetamide (CID 19175449) is 2-(4-bromo-2,6-dimethylphenoxy)-N-(4-pentoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2,6-dimethylphenoxy)-N-(4-pentoxyphenyl)acetamide?
The canonical SMILES for 2-(4-bromo-2,6-dimethylphenoxy)-N-(4-pentoxyphenyl)acetamide is CCCCCOc1ccc(NC(=O)COc2c(C)cc(Br)cc2C)cc1.
What is the InChIKey of 2-(4-bromo-2,6-dimethylphenoxy)-N-(4-pentoxyphenyl)acetamide?
The InChIKey is BYOKXRVFWDYXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26BrNO3/c1-4-5-6-11-25-19-9-7-18(8-10-19)23-20(24)14-26-21-15(2)12-17(22)13-16(21)3/h7-10,12-13H,4-6,11,14H2,1-3H3,(H,23,24).
What are the key properties of 2-(4-bromo-2,6-dimethylphenoxy)-N-(4-pentoxyphenyl)acetamide?
2-(4-bromo-2,6-dimethylphenoxy)-N-(4-pentoxyphenyl)acetamide has a molecular weight of 420.35 g/mol, XLogP of 5.65, 9 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-pentoxyphenyl)acetamide is sourced from PubChem (CID 19175449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).