propan-2-yl 3-[[2-(2-fluorophenoxy)acetyl]amino]-3-phenylpropanoate

C20H22FNO4 — CID 55439728

IUPACpropan-2-yl 3-[[2-(2-fluorophenoxy)acetyl]amino]-3-phenylpropanoate
SMILESCC(C)OC(=O)CC(NC(=O)COc1ccccc1F)c1ccccc1
InChIInChI=1S/C20H22FNO4/c1-14(2)26-20(24)12-17(15-8-4-3-5-9-15)22-19(23)13-25-18-11-7-6-10-16(18)21/h3-11,14,17H,12-13H2,1-2H3,(H,22,23)
InChIKeyMYAOJGBOBNYVQR-UHFFFAOYSA-N
MW359.40 g/mol
LogP3.40
Rot. Bonds8

About propan-2-yl 3-[[2-(2-fluorophenoxy)acetyl]amino]-3-phenylpropanoate

propan-2-yl 3-[[2-(2-fluorophenoxy)acetyl]amino]-3-phenylpropanoate (PubChem CID 55439728) has the molecular formula C20H22FNO4 and a molecular weight of 359.40 g/mol. Its IUPAC name is propan-2-yl 3-[[2-(2-fluorophenoxy)acetyl]amino]-3-phenylpropanoate.

Molecular Properties

Compound Namepropan-2-yl 3-[[2-(2-fluorophenoxy)acetyl]amino]-3-phenylpropanoate
PubChem CID55439728
Molecular FormulaC20H22FNO4
Molecular Weight359.40 g/mol
Exact Mass359.15
IUPAC Namepropan-2-yl 3-[[2-(2-fluorophenoxy)acetyl]amino]-3-phenylpropanoate
SMILESCC(C)OC(=O)CC(NC(=O)COc1ccccc1F)c1ccccc1
InChIInChI=1S/C20H22FNO4/c1-14(2)26-20(24)12-17(15-8-4-3-5-9-15)22-19(23)13-25-18-11-7-6-10-16(18)21/h3-11,14,17H,12-13H2,1-2H3,(H,22,23)
InChIKeyMYAOJGBOBNYVQR-UHFFFAOYSA-N
XLogP3.40
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (3S)-3-[[2-(2-fluorophenoxy)acetyl]amino]-3-phenylpropanoate
CID 51558007
2-(2-fluorophenoxy)-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 103772671
methyl 3-[[2-(2-methoxyphenoxy)acetyl]amino]-3-phenylpropanoate
CID 18121206
propan-2-yl 3-[(2-aminoacetyl)amino]-3-phenylpropanoate;hydrochloride
CID 119274327
3-(3,4-dimethoxyphenyl)-3-[[2-(2-fluorophenoxy)acetyl]amino]propanoic acid
CID 45432854
methyl 3-[[2-(4-fluorophenoxy)acetyl]amino]-3-phenylpropanoate
CID 17414893
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(2-fluorophenoxy)acetate
CID 7842381
3-amino-N-[2-(2-fluorophenoxy)-1-phenylethyl]butanamide;hydrochloride
CID 119735720
methyl (3R)-3-(4-fluorophenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate
CID 51967900
2-(2-fluorophenoxy)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 16546160
3-[[2-(2-ethoxyphenoxy)acetyl]amino]-3-phenylpropanoic acid
CID 45461296
(2S)-2-[[2-(2-fluorophenoxy)acetyl]amino]-4-methoxy-4-oxobutanoic acid
CID 63307164

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[[2-(2-fluorophenoxy)acetyl]amino]-3-phenylpropanoate?
The IUPAC name of propan-2-yl 3-[[2-(2-fluorophenoxy)acetyl]amino]-3-phenylpropanoate (CID 55439728) is propan-2-yl 3-[[2-(2-fluorophenoxy)acetyl]amino]-3-phenylpropanoate.
What is the SMILES notation for propan-2-yl 3-[[2-(2-fluorophenoxy)acetyl]amino]-3-phenylpropanoate?
The canonical SMILES for propan-2-yl 3-[[2-(2-fluorophenoxy)acetyl]amino]-3-phenylpropanoate is CC(C)OC(=O)CC(NC(=O)COc1ccccc1F)c1ccccc1.
What is the InChIKey of propan-2-yl 3-[[2-(2-fluorophenoxy)acetyl]amino]-3-phenylpropanoate?
The InChIKey is MYAOJGBOBNYVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO4/c1-14(2)26-20(24)12-17(15-8-4-3-5-9-15)22-19(23)13-25-18-11-7-6-10-16(18)21/h3-11,14,17H,12-13H2,1-2H3,(H,22,23).
What are the key properties of propan-2-yl 3-[[2-(2-fluorophenoxy)acetyl]amino]-3-phenylpropanoate?
propan-2-yl 3-[[2-(2-fluorophenoxy)acetyl]amino]-3-phenylpropanoate has a molecular weight of 359.40 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[[2-(2-fluorophenoxy)acetyl]amino]-3-phenylpropanoate is sourced from PubChem (CID 55439728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).