2-(2-tert-butylphenoxy)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide

C21H27NO3 — CID 31183674

IUPAC2-(2-tert-butylphenoxy)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1[C@H](C)NC(=O)COc1ccccc1C(C)(C)C
InChIInChI=1S/C21H27NO3/c1-15(16-10-6-8-12-18(16)24-5)22-20(23)14-25-19-13-9-7-11-17(19)21(2,3)4/h6-13,15H,14H2,1-5H3,(H,22,23)/t15-/m0/s1
InChIKeyBVZKRKOKALEQMT-HNNXBMFYSA-N
MW341.45 g/mol
LogP4.25
Rot. Bonds6

About 2-(2-tert-butylphenoxy)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide

2-(2-tert-butylphenoxy)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide (PubChem CID 31183674) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is 2-(2-tert-butylphenoxy)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-tert-butylphenoxy)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
PubChem CID31183674
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name2-(2-tert-butylphenoxy)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1[C@H](C)NC(=O)COc1ccccc1C(C)(C)C
InChIInChI=1S/C21H27NO3/c1-15(16-10-6-8-12-18(16)24-5)22-20(23)14-25-19-13-9-7-11-17(19)21(2,3)4/h6-13,15H,14H2,1-5H3,(H,22,23)/t15-/m0/s1
InChIKeyBVZKRKOKALEQMT-HNNXBMFYSA-N
XLogP4.25
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-tert-butylphenoxy)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide
CID 24550111
2-(2-fluorophenoxy)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 7719194
2-(2-ethylphenoxy)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 51144695
2-(2-bromo-4-tert-butylphenoxy)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 100513410
2-(4-fluorophenoxy)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 51144558
3-[[2-(2-tert-butylphenoxy)acetyl]amino]butanoic acid
CID 119221548
[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 55366842
N-[1-(2-bromophenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 16548373
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(2-nitrophenoxy)acetamide
CID 7719046
2-ethoxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 81387481
2-(4-chlorophenoxy)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 7719123
2-(3,5-dimethylphenoxy)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 27787506

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylphenoxy)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(2-tert-butylphenoxy)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide (CID 31183674) is 2-(2-tert-butylphenoxy)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-tert-butylphenoxy)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2-tert-butylphenoxy)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide is COc1ccccc1[C@H](C)NC(=O)COc1ccccc1C(C)(C)C.
What is the InChIKey of 2-(2-tert-butylphenoxy)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide?
The InChIKey is BVZKRKOKALEQMT-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-15(16-10-6-8-12-18(16)24-5)22-20(23)14-25-19-13-9-7-11-17(19)21(2,3)4/h6-13,15H,14H2,1-5H3,(H,22,23)/t15-/m0/s1.
What are the key properties of 2-(2-tert-butylphenoxy)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide?
2-(2-tert-butylphenoxy)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide has a molecular weight of 341.45 g/mol, XLogP of 4.25, 6 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-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 31183674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).