2-(2-ethoxyphenoxy)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide

C19H22FNO4 — CID 9051491

IUPAC2-(2-ethoxyphenoxy)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide
SMILESCCOc1ccccc1OCC(=O)N[C@@H](C)c1ccc(OC)c(F)c1
InChIInChI=1S/C19H22FNO4/c1-4-24-17-7-5-6-8-18(17)25-12-19(22)21-13(2)14-9-10-16(23-3)15(20)11-14/h5-11,13H,4,12H2,1-3H3,(H,21,22)/t13-/m0/s1
InChIKeyUXIGRQBZRBTYFM-ZDUSSCGKSA-N
MW347.39 g/mol
LogP3.49
Rot. Bonds8

About 2-(2-ethoxyphenoxy)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide

2-(2-ethoxyphenoxy)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide (PubChem CID 9051491) has the molecular formula C19H22FNO4 and a molecular weight of 347.39 g/mol. Its IUPAC name is 2-(2-ethoxyphenoxy)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-ethoxyphenoxy)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide
PubChem CID9051491
Molecular FormulaC19H22FNO4
Molecular Weight347.39 g/mol
Exact Mass347.15
IUPAC Name2-(2-ethoxyphenoxy)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide
SMILESCCOc1ccccc1OCC(=O)N[C@@H](C)c1ccc(OC)c(F)c1
InChIInChI=1S/C19H22FNO4/c1-4-24-17-7-5-6-8-18(17)25-12-19(22)21-13(2)14-9-10-16(23-3)15(20)11-14/h5-11,13H,4,12H2,1-3H3,(H,21,22)/t13-/m0/s1
InChIKeyUXIGRQBZRBTYFM-ZDUSSCGKSA-N
XLogP3.49
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethoxyphenoxy)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide
CID 46828544
N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide
CID 8795097
2-(2-tert-butylphenoxy)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide
CID 24550111
N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2-phenoxyacetamide
CID 9051371
2-(2-ethoxyphenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 7930315
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 18118290
2-(2,4-difluorophenoxy)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide
CID 46415294
2-(2-ethoxyphenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 731794
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(3-methylphenoxy)acetamide
CID 18200818
N-[1-(3,4-difluorophenyl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 18084333
2-(2-fluorophenoxy)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 7719194
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 46415728

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenoxy)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(2-ethoxyphenoxy)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide (CID 9051491) is 2-(2-ethoxyphenoxy)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-ethoxyphenoxy)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2-ethoxyphenoxy)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide is CCOc1ccccc1OCC(=O)N[C@@H](C)c1ccc(OC)c(F)c1.
What is the InChIKey of 2-(2-ethoxyphenoxy)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide?
The InChIKey is UXIGRQBZRBTYFM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H22FNO4/c1-4-24-17-7-5-6-8-18(17)25-12-19(22)21-13(2)14-9-10-16(23-3)15(20)11-14/h5-11,13H,4,12H2,1-3H3,(H,21,22)/t13-/m0/s1.
What are the key properties of 2-(2-ethoxyphenoxy)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide?
2-(2-ethoxyphenoxy)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide has a molecular weight of 347.39 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenoxy)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 9051491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).