2-(2,4-ditert-butylphenoxy)-N-(4-phenoxyphenyl)acetamide

C28H33NO3 — CID 17356474

IUPAC2-(2,4-ditert-butylphenoxy)-N-(4-phenoxyphenyl)acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)Nc2ccc(Oc3ccccc3)cc2)c(C(C)(C)C)c1
InChIInChI=1S/C28H33NO3/c1-27(2,3)20-12-17-25(24(18-20)28(4,5)6)31-19-26(30)29-21-13-15-23(16-14-21)32-22-10-8-7-9-11-22/h7-18H,19H2,1-6H3,(H,29,30)
InChIKeyUVSYFBVZPCMTQL-UHFFFAOYSA-N
MW431.58 g/mol
LogP7.09
Rot. Bonds6

About 2-(2,4-ditert-butylphenoxy)-N-(4-phenoxyphenyl)acetamide

2-(2,4-ditert-butylphenoxy)-N-(4-phenoxyphenyl)acetamide (PubChem CID 17356474) has the molecular formula C28H33NO3 and a molecular weight of 431.58 g/mol. Its IUPAC name is 2-(2,4-ditert-butylphenoxy)-N-(4-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2,4-ditert-butylphenoxy)-N-(4-phenoxyphenyl)acetamide
PubChem CID17356474
Molecular FormulaC28H33NO3
Molecular Weight431.58 g/mol
Exact Mass431.25
IUPAC Name2-(2,4-ditert-butylphenoxy)-N-(4-phenoxyphenyl)acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)Nc2ccc(Oc3ccccc3)cc2)c(C(C)(C)C)c1
InChIInChI=1S/C28H33NO3/c1-27(2,3)20-12-17-25(24(18-20)28(4,5)6)31-19-26(30)29-21-13-15-23(16-14-21)32-22-10-8-7-9-11-22/h7-18H,19H2,1-6H3,(H,29,30)
InChIKeyUVSYFBVZPCMTQL-UHFFFAOYSA-N
XLogP7.09
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.58
LogP ≤ 57.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-ditert-butylphenoxy)-N-(3-ethoxyphenyl)acetamide
CID 17098209
N-[3-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]phenyl]benzamide
CID 17234915
2-(2,4-ditert-butylphenoxy)-N-(3-propoxyphenyl)acetamide
CID 17096794
N-(3-acetylphenyl)-2-(2,4-ditert-butylphenoxy)acetamide
CID 17356505
propyl 4-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]benzoate
CID 17356495
N'-[2-(2,4-ditert-butylphenoxy)acetyl]-2-phenylacetohydrazide
CID 17356745
2-(4-tert-butylphenoxy)-N-phenylacetamide
CID 963342
2-(2-bromo-4-tert-butylphenoxy)-N-[4-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]phenyl]acetamide
CID 17350659
4-tert-butyl-N-[4-[[2-(2-tert-butylphenoxy)acetyl]amino]phenyl]benzamide
CID 17235093
2-(4-acetamidophenoxy)-N-(4-phenoxyphenyl)acetamide
CID 2471722
2-phenoxy-N-[4-[3-[4-[(2-phenoxyacetyl)amino]phenoxy]phenoxy]phenyl]acetamide
CID 4227761
2-[2-methoxy-4-[(4-phenoxyanilino)methyl]phenoxy]-N-phenylacetamide
CID 126273736

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-ditert-butylphenoxy)-N-(4-phenoxyphenyl)acetamide?
The IUPAC name of 2-(2,4-ditert-butylphenoxy)-N-(4-phenoxyphenyl)acetamide (CID 17356474) is 2-(2,4-ditert-butylphenoxy)-N-(4-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-(2,4-ditert-butylphenoxy)-N-(4-phenoxyphenyl)acetamide?
The canonical SMILES for 2-(2,4-ditert-butylphenoxy)-N-(4-phenoxyphenyl)acetamide is CC(C)(C)c1ccc(OCC(=O)Nc2ccc(Oc3ccccc3)cc2)c(C(C)(C)C)c1.
What is the InChIKey of 2-(2,4-ditert-butylphenoxy)-N-(4-phenoxyphenyl)acetamide?
The InChIKey is UVSYFBVZPCMTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33NO3/c1-27(2,3)20-12-17-25(24(18-20)28(4,5)6)31-19-26(30)29-21-13-15-23(16-14-21)32-22-10-8-7-9-11-22/h7-18H,19H2,1-6H3,(H,29,30).
What are the key properties of 2-(2,4-ditert-butylphenoxy)-N-(4-phenoxyphenyl)acetamide?
2-(2,4-ditert-butylphenoxy)-N-(4-phenoxyphenyl)acetamide has a molecular weight of 431.58 g/mol, XLogP of 7.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-ditert-butylphenoxy)-N-(4-phenoxyphenyl)acetamide is sourced from PubChem (CID 17356474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).