2-(4-tert-butylphenoxy)-N-[2-(3-methoxyphenyl)ethyl]acetamide

C21H27NO3 — CID 112977668

IUPAC2-(4-tert-butylphenoxy)-N-[2-(3-methoxyphenyl)ethyl]acetamide
SMILESCOc1cccc(CCNC(=O)COc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C21H27NO3/c1-21(2,3)17-8-10-18(11-9-17)25-15-20(23)22-13-12-16-6-5-7-19(14-16)24-4/h5-11,14H,12-13,15H2,1-4H3,(H,22,23)
InChIKeyOHCMOJSHEJZITE-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.73
Rot. Bonds7

About 2-(4-tert-butylphenoxy)-N-[2-(3-methoxyphenyl)ethyl]acetamide

2-(4-tert-butylphenoxy)-N-[2-(3-methoxyphenyl)ethyl]acetamide (PubChem CID 112977668) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-[2-(3-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-[2-(3-methoxyphenyl)ethyl]acetamide
PubChem CID112977668
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name2-(4-tert-butylphenoxy)-N-[2-(3-methoxyphenyl)ethyl]acetamide
SMILESCOc1cccc(CCNC(=O)COc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C21H27NO3/c1-21(2,3)17-8-10-18(11-9-17)25-15-20(23)22-13-12-16-6-5-7-19(14-16)24-4/h5-11,14H,12-13,15H2,1-4H3,(H,22,23)
InChIKeyOHCMOJSHEJZITE-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-(3,4-dimethylphenoxy)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 112977913
2-(4-methoxyphenoxy)-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 95172596
2-amino-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 22690352
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 94681482
2-(4-tert-butylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 710366
2-(2,5-dimethylphenoxy)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 112977879
5-[2-(3-methoxyphenyl)ethylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 106703116
N-[2-(3-methoxyphenyl)ethyl]-4-(methylamino)butanamide
CID 113266225
2-(3-methoxyanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 109001073
(2S)-2-[[2-(4-tert-butylphenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-propylbutanamide
CID 100609726
3-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethoxy]benzoic acid
CID 45396627
N-[3-(3-methoxyphenyl)propyl]-2-(3-methylphenoxy)acetamide
CID 95172598

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-[2-(3-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-[2-(3-methoxyphenyl)ethyl]acetamide (CID 112977668) is 2-(4-tert-butylphenoxy)-N-[2-(3-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-[2-(3-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-[2-(3-methoxyphenyl)ethyl]acetamide is COc1cccc(CCNC(=O)COc2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-[2-(3-methoxyphenyl)ethyl]acetamide?
The InChIKey is OHCMOJSHEJZITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-21(2,3)17-8-10-18(11-9-17)25-15-20(23)22-13-12-16-6-5-7-19(14-16)24-4/h5-11,14H,12-13,15H2,1-4H3,(H,22,23).
What are the key properties of 2-(4-tert-butylphenoxy)-N-[2-(3-methoxyphenyl)ethyl]acetamide?
2-(4-tert-butylphenoxy)-N-[2-(3-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-(4-tert-butylphenoxy)-N-[2-(3-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 112977668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).