2-(2-tert-butylphenoxy)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide

C21H26FNO3 — CID 24550111

IUPAC2-(2-tert-butylphenoxy)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(C(C)NC(=O)COc2ccccc2C(C)(C)C)cc1F
InChIInChI=1S/C21H26FNO3/c1-14(15-10-11-19(25-5)17(22)12-15)23-20(24)13-26-18-9-7-6-8-16(18)21(2,3)4/h6-12,14H,13H2,1-5H3,(H,23,24)
InChIKeyWDXLDYDWIMSZNR-UHFFFAOYSA-N
MW359.44 g/mol
LogP4.39
Rot. Bonds6

About 2-(2-tert-butylphenoxy)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide

2-(2-tert-butylphenoxy)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide (PubChem CID 24550111) has the molecular formula C21H26FNO3 and a molecular weight of 359.44 g/mol. Its IUPAC name is 2-(2-tert-butylphenoxy)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-tert-butylphenoxy)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide
PubChem CID24550111
Molecular FormulaC21H26FNO3
Molecular Weight359.44 g/mol
Exact Mass359.19
IUPAC Name2-(2-tert-butylphenoxy)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(C(C)NC(=O)COc2ccccc2C(C)(C)C)cc1F
InChIInChI=1S/C21H26FNO3/c1-14(15-10-11-19(25-5)17(22)12-15)23-20(24)13-26-18-9-7-6-8-16(18)21(2,3)4/h6-12,14H,13H2,1-5H3,(H,23,24)
InChIKeyWDXLDYDWIMSZNR-UHFFFAOYSA-N
XLogP4.39
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.44
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethoxyphenoxy)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide
CID 46828544
2-(2-ethoxyphenoxy)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide
CID 9051491
2-(2-tert-butylphenoxy)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 31183674
N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2-phenoxyacetamide
CID 9051371
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949949
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 18118290
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 46828553
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(3-methylphenoxy)acetamide
CID 18200818
2-(2,4-difluorophenoxy)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide
CID 46415294
2-(4-acetylphenoxy)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide
CID 18200831
N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide
CID 8795097
2-(2-aminoethoxy)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide
CID 79473917

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylphenoxy)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(2-tert-butylphenoxy)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide (CID 24550111) is 2-(2-tert-butylphenoxy)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-tert-butylphenoxy)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2-tert-butylphenoxy)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide is COc1ccc(C(C)NC(=O)COc2ccccc2C(C)(C)C)cc1F.
What is the InChIKey of 2-(2-tert-butylphenoxy)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide?
The InChIKey is WDXLDYDWIMSZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FNO3/c1-14(15-10-11-19(25-5)17(22)12-15)23-20(24)13-26-18-9-7-6-8-16(18)21(2,3)4/h6-12,14H,13H2,1-5H3,(H,23,24).
What are the key properties of 2-(2-tert-butylphenoxy)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide?
2-(2-tert-butylphenoxy)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide has a molecular weight of 359.44 g/mol, XLogP of 4.39, 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-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 24550111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).