2-(4-tert-butylphenoxy)-N-(4-propoxyphenyl)acetamide

C21H27NO3 — CID 4945067

IUPAC2-(4-tert-butylphenoxy)-N-(4-propoxyphenyl)acetamide
SMILESCCCOc1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C21H27NO3/c1-5-14-24-18-12-8-17(9-13-18)22-20(23)15-25-19-10-6-16(7-11-19)21(2,3)4/h6-13H,5,14-15H2,1-4H3,(H,22,23)
InChIKeyVXDVSCGXLQUNPA-UHFFFAOYSA-N
MW341.45 g/mol
LogP4.79
Rot. Bonds7

About 2-(4-tert-butylphenoxy)-N-(4-propoxyphenyl)acetamide

2-(4-tert-butylphenoxy)-N-(4-propoxyphenyl)acetamide (PubChem CID 4945067) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-(4-propoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-(4-propoxyphenyl)acetamide
PubChem CID4945067
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name2-(4-tert-butylphenoxy)-N-(4-propoxyphenyl)acetamide
SMILESCCCOc1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C21H27NO3/c1-5-14-24-18-12-8-17(9-13-18)22-20(23)15-25-19-10-6-16(7-11-19)21(2,3)4/h6-13H,5,14-15H2,1-4H3,(H,22,23)
InChIKeyVXDVSCGXLQUNPA-UHFFFAOYSA-N
XLogP4.79
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methoxyphenyl)-2-(4-propoxyphenoxy)acetamide
CID 4732668
2-(4-methylphenoxy)-N-(4-propoxyphenyl)acetamide
CID 4943007
2-(4-tert-butylphenoxy)-N-phenylacetamide
CID 963342
butyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate
CID 3537065
N-(4-butoxyphenyl)-4-(4-tert-butylphenoxy)butanamide
CID 19173570
2-methyl-N-[4-[[2-(4-propoxyphenoxy)acetyl]amino]phenyl]propanamide
CID 26907045
methyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate
CID 710358
ethyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate
CID 3274519
2-[4-(2-methylbutan-2-yl)phenoxy]-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 17093306
propyl 4-[4-(4-tert-butylphenoxy)butanoylamino]benzoate
CID 19173583
4-[[2-(4-tert-butylphenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 7703623
methyl 2-[4-[2-(4-tert-butylanilino)-2-oxoethoxy]phenyl]acetate
CID 7695156

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-(4-propoxyphenyl)acetamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-(4-propoxyphenyl)acetamide (CID 4945067) is 2-(4-tert-butylphenoxy)-N-(4-propoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-(4-propoxyphenyl)acetamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-(4-propoxyphenyl)acetamide is CCCOc1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-(4-propoxyphenyl)acetamide?
The InChIKey is VXDVSCGXLQUNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-5-14-24-18-12-8-17(9-13-18)22-20(23)15-25-19-10-6-16(7-11-19)21(2,3)4/h6-13H,5,14-15H2,1-4H3,(H,22,23).
What are the key properties of 2-(4-tert-butylphenoxy)-N-(4-propoxyphenyl)acetamide?
2-(4-tert-butylphenoxy)-N-(4-propoxyphenyl)acetamide has a molecular weight of 341.45 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-(4-propoxyphenyl)acetamide is sourced from PubChem (CID 4945067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).