[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(2-fluorophenoxy)acetate

C18H18FNO4 — CID 7842381

IUPAC[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(2-fluorophenoxy)acetate
SMILESC[C@H](NC(=O)COC(=O)COc1ccccc1F)c1ccccc1
InChIInChI=1S/C18H18FNO4/c1-13(14-7-3-2-4-8-14)20-17(21)11-24-18(22)12-23-16-10-6-5-9-15(16)19/h2-10,13H,11-12H2,1H3,(H,20,21)/t13-/m0/s1
InChIKeyKNVSKXWLWOFNGD-ZDUSSCGKSA-N
MW331.34 g/mol
LogP2.63
Rot. Bonds7

About [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(2-fluorophenoxy)acetate

[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(2-fluorophenoxy)acetate (PubChem CID 7842381) has the molecular formula C18H18FNO4 and a molecular weight of 331.34 g/mol. Its IUPAC name is [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(2-fluorophenoxy)acetate.

Molecular Properties

Compound Name[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(2-fluorophenoxy)acetate
PubChem CID7842381
Molecular FormulaC18H18FNO4
Molecular Weight331.34 g/mol
Exact Mass331.12
IUPAC Name[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(2-fluorophenoxy)acetate
SMILESC[C@H](NC(=O)COC(=O)COc1ccccc1F)c1ccccc1
InChIInChI=1S/C18H18FNO4/c1-13(14-7-3-2-4-8-14)20-17(21)11-24-18(22)12-23-16-10-6-5-9-15(16)19/h2-10,13H,11-12H2,1H3,(H,20,21)/t13-/m0/s1
InChIKeyKNVSKXWLWOFNGD-ZDUSSCGKSA-N
XLogP2.63
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 7842460
[2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] 2-(2-fluorophenoxy)acetate
CID 55316488
2-(2-fluorophenoxy)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 16546160
[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(2-fluorophenoxy)acetate
CID 9140307
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(2,6-dimethylphenoxy)acetate
CID 8528054
2-(2-fluorophenoxy)-N-[(1S)-1-(3-methoxyphenyl)ethyl]acetamide
CID 42563585
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 2435833
2-(2-ethoxyphenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 731794
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 2386889
2-(2-fluorophenoxy)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 7719194
2-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethoxy]benzamide
CID 8866061
[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate
CID 7982164

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(2-fluorophenoxy)acetate?
The IUPAC name of [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(2-fluorophenoxy)acetate (CID 7842381) is [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(2-fluorophenoxy)acetate.
What is the SMILES notation for [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(2-fluorophenoxy)acetate?
The canonical SMILES for [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(2-fluorophenoxy)acetate is C[C@H](NC(=O)COC(=O)COc1ccccc1F)c1ccccc1.
What is the InChIKey of [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(2-fluorophenoxy)acetate?
The InChIKey is KNVSKXWLWOFNGD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H18FNO4/c1-13(14-7-3-2-4-8-14)20-17(21)11-24-18(22)12-23-16-10-6-5-9-15(16)19/h2-10,13H,11-12H2,1H3,(H,20,21)/t13-/m0/s1.
What are the key properties of [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(2-fluorophenoxy)acetate?
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(2-fluorophenoxy)acetate has a molecular weight of 331.34 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(2-fluorophenoxy)acetate is sourced from PubChem (CID 7842381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).