2-(2-tert-butylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide

C21H27NO3 — CID 7658830

IUPAC2-(2-tert-butylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)COc2ccccc2C(C)(C)C)cc1
InChIInChI=1S/C21H27NO3/c1-21(2,3)18-7-5-6-8-19(18)25-15-20(23)22-14-13-16-9-11-17(24-4)12-10-16/h5-12H,13-15H2,1-4H3,(H,22,23)
InChIKeyKGZDDWXORGRLDT-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.73
Rot. Bonds7

About 2-(2-tert-butylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide

2-(2-tert-butylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide (PubChem CID 7658830) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is 2-(2-tert-butylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-tert-butylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide
PubChem CID7658830
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name2-(2-tert-butylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)COc2ccccc2C(C)(C)C)cc1
InChIInChI=1S/C21H27NO3/c1-21(2,3)18-7-5-6-8-19(18)25-15-20(23)22-14-13-16-9-11-17(24-4)12-10-16/h5-12H,13-15H2,1-4H3,(H,22,23)
InChIKeyKGZDDWXORGRLDT-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate
CID 8700972
N-[2-(4-methoxyphenyl)ethyl]-2-naphthalen-1-yloxyacetamide
CID 748766
2-(2-bromophenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 7847687
2-(2-cyanophenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2565568
N-butyl-2-(2-tert-butylphenoxy)acetamide
CID 7676560
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 8913578
N-[2-(4-methoxyphenyl)ethyl]-2-[2-(trifluoromethyl)anilino]acetamide
CID 109001307
2-(2-methoxyphenoxy)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 26732878
3-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-propylpropanamide
CID 60551513
2-(2-tert-butylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 54776459
[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(2-tert-butylphenoxy)acetate
CID 8701349
2-(2-tert-butylphenoxy)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 134000816

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(2-tert-butylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide (CID 7658830) is 2-(2-tert-butylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-tert-butylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2-tert-butylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide is COc1ccc(CCNC(=O)COc2ccccc2C(C)(C)C)cc1.
What is the InChIKey of 2-(2-tert-butylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The InChIKey is KGZDDWXORGRLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-21(2,3)18-7-5-6-8-19(18)25-15-20(23)22-14-13-16-9-11-17(24-4)12-10-16/h5-12H,13-15H2,1-4H3,(H,22,23).
What are the key properties of 2-(2-tert-butylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
2-(2-tert-butylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide has a molecular weight of 341.45 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 7658830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).