methyl (2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]-2-phenylacetate

C18H19NO5 — CID 95313151

IUPACmethyl (2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]-2-phenylacetate
SMILESCOC(=O)[C@@H](NC(=O)COc1ccccc1OC)c1ccccc1
InChIInChI=1S/C18H19NO5/c1-22-14-10-6-7-11-15(14)24-12-16(20)19-17(18(21)23-2)13-8-4-3-5-9-13/h3-11,17H,12H2,1-2H3,(H,19,20)/t17-/m0/s1
InChIKeyBQOWZSADNMFMKS-KRWDZBQOSA-N
MW329.35 g/mol
LogP2.10
Rot. Bonds7

About methyl (2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]-2-phenylacetate

methyl (2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]-2-phenylacetate (PubChem CID 95313151) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is methyl (2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]-2-phenylacetate.

Molecular Properties

Compound Namemethyl (2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]-2-phenylacetate
PubChem CID95313151
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Namemethyl (2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]-2-phenylacetate
SMILESCOC(=O)[C@@H](NC(=O)COc1ccccc1OC)c1ccccc1
InChIInChI=1S/C18H19NO5/c1-22-14-10-6-7-11-15(14)24-12-16(20)19-17(18(21)23-2)13-8-4-3-5-9-13/h3-11,17H,12H2,1-2H3,(H,19,20)/t17-/m0/s1
InChIKeyBQOWZSADNMFMKS-KRWDZBQOSA-N
XLogP2.10
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2R)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate
CID 113257879
2-(2-methoxyphenoxy)-N-(2-methyl-1-phenylpropyl)acetamide
CID 51213896
2-[[2-(2-hydroxyphenoxy)acetyl]amino]-2-phenylacetamide
CID 78840056
methyl 3-[[2-(2-methoxyphenoxy)acetyl]amino]-3-phenylpropanoate
CID 18121206
methyl 2-[[2-(2-methoxyphenoxy)acetyl]amino]-3-phenylpropanoate
CID 17177933
2-(2-methoxyphenoxy)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 28958838
(2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid
CID 746811
methyl 2-[[2-(methylamino)acetyl]amino]-2-phenylacetate
CID 23654473
N-[(2R)-1-hydroxypropan-2-yl]-2-(2-methoxyphenoxy)acetamide
CID 39086763
N-(2-amino-2-oxo-1-phenylethyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 55776273
3-hydroxy-2-[[2-(2-methoxyphenoxy)acetyl]amino]butanoic acid
CID 43238739
2-(2-methoxyphenoxy)-N-pentan-2-ylacetamide
CID 2957379

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]-2-phenylacetate?
The IUPAC name of methyl (2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]-2-phenylacetate (CID 95313151) is methyl (2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]-2-phenylacetate.
What is the SMILES notation for methyl (2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]-2-phenylacetate?
The canonical SMILES for methyl (2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]-2-phenylacetate is COC(=O)[C@@H](NC(=O)COc1ccccc1OC)c1ccccc1.
What is the InChIKey of methyl (2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]-2-phenylacetate?
The InChIKey is BQOWZSADNMFMKS-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H19NO5/c1-22-14-10-6-7-11-15(14)24-12-16(20)19-17(18(21)23-2)13-8-4-3-5-9-13/h3-11,17H,12H2,1-2H3,(H,19,20)/t17-/m0/s1.
What are the key properties of methyl (2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]-2-phenylacetate?
methyl (2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]-2-phenylacetate has a molecular weight of 329.35 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]-2-phenylacetate is sourced from PubChem (CID 95313151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).