methyl 2-[[2-(2-methoxyphenoxy)acetyl]amino]-3-phenylpropanoate

C19H21NO5 — CID 17177933

IUPACmethyl 2-[[2-(2-methoxyphenoxy)acetyl]amino]-3-phenylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)NC(=O)COc1ccccc1OC
InChIInChI=1S/C19H21NO5/c1-23-16-10-6-7-11-17(16)25-13-18(21)20-15(19(22)24-2)12-14-8-4-3-5-9-14/h3-11,15H,12-13H2,1-2H3,(H,20,21)
InChIKeyWREWHBWSOIKGSV-UHFFFAOYSA-N
MW343.38 g/mol
LogP1.97
Rot. Bonds8

About methyl 2-[[2-(2-methoxyphenoxy)acetyl]amino]-3-phenylpropanoate

methyl 2-[[2-(2-methoxyphenoxy)acetyl]amino]-3-phenylpropanoate (PubChem CID 17177933) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is methyl 2-[[2-(2-methoxyphenoxy)acetyl]amino]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl 2-[[2-(2-methoxyphenoxy)acetyl]amino]-3-phenylpropanoate
PubChem CID17177933
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Namemethyl 2-[[2-(2-methoxyphenoxy)acetyl]amino]-3-phenylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)NC(=O)COc1ccccc1OC
InChIInChI=1S/C19H21NO5/c1-23-16-10-6-7-11-17(16)25-13-18(21)20-15(19(22)24-2)12-14-8-4-3-5-9-14/h3-11,15H,12-13H2,1-2H3,(H,20,21)
InChIKeyWREWHBWSOIKGSV-UHFFFAOYSA-N
XLogP1.97
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl] 2,6-dimethoxybenzoate
CID 55397412
methyl (2S)-2-[(3,4-dimethoxybenzoyl)amino]-3-phenylpropanoate
CID 10360063
[2-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl] 4-bromo-3,5-dimethoxybenzoate
CID 55424458
methyl 3-phenyl-2-[(3,4,5-trimethoxybenzoyl)amino]propanoate
CID 3091440
2-(2-methoxyphenoxy)-N-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]acetamide
CID 110347257
methyl (2R)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate
CID 113257879
methyl (2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]-2-phenylacetate
CID 95313151
methyl (2S)-2-[[2-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]oxyacetyl]amino]-3-phenylpropanoate
CID 9289122
methyl (2S)-2-[[2-[2-(2-formylphenoxy)acetyl]oxyacetyl]amino]-3-phenylpropanoate
CID 9197807
methyl (2R)-2-[[2-(4-methoxy-2-nitrophenoxy)acetyl]amino]-3-phenylpropanoate
CID 9338767
[2-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl] 2-ethoxybenzoate
CID 9197641
(2R)-4-hydroxy-2-[[2-(2-methoxyphenoxy)acetyl]amino]butanoic acid
CID 107822898

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(2-methoxyphenoxy)acetyl]amino]-3-phenylpropanoate?
The IUPAC name of methyl 2-[[2-(2-methoxyphenoxy)acetyl]amino]-3-phenylpropanoate (CID 17177933) is methyl 2-[[2-(2-methoxyphenoxy)acetyl]amino]-3-phenylpropanoate.
What is the SMILES notation for methyl 2-[[2-(2-methoxyphenoxy)acetyl]amino]-3-phenylpropanoate?
The canonical SMILES for methyl 2-[[2-(2-methoxyphenoxy)acetyl]amino]-3-phenylpropanoate is COC(=O)C(Cc1ccccc1)NC(=O)COc1ccccc1OC.
What is the InChIKey of methyl 2-[[2-(2-methoxyphenoxy)acetyl]amino]-3-phenylpropanoate?
The InChIKey is WREWHBWSOIKGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-23-16-10-6-7-11-17(16)25-13-18(21)20-15(19(22)24-2)12-14-8-4-3-5-9-14/h3-11,15H,12-13H2,1-2H3,(H,20,21).
What are the key properties of methyl 2-[[2-(2-methoxyphenoxy)acetyl]amino]-3-phenylpropanoate?
methyl 2-[[2-(2-methoxyphenoxy)acetyl]amino]-3-phenylpropanoate has a molecular weight of 343.38 g/mol, XLogP of 1.97, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(2-methoxyphenoxy)acetyl]amino]-3-phenylpropanoate is sourced from PubChem (CID 17177933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).