methyl 3-[[2-(4-acetylphenoxy)acetyl]amino]-3-phenylpropanoate

C20H21NO5 — CID 46637572

IUPACmethyl 3-[[2-(4-acetylphenoxy)acetyl]amino]-3-phenylpropanoate
SMILESCOC(=O)CC(NC(=O)COc1ccc(C(C)=O)cc1)c1ccccc1
InChIInChI=1S/C20H21NO5/c1-14(22)15-8-10-17(11-9-15)26-13-19(23)21-18(12-20(24)25-2)16-6-4-3-5-7-16/h3-11,18H,12-13H2,1-2H3,(H,21,23)
InChIKeyMXEOOOZBYXOGLK-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.69
Rot. Bonds8

About methyl 3-[[2-(4-acetylphenoxy)acetyl]amino]-3-phenylpropanoate

methyl 3-[[2-(4-acetylphenoxy)acetyl]amino]-3-phenylpropanoate (PubChem CID 46637572) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is methyl 3-[[2-(4-acetylphenoxy)acetyl]amino]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl 3-[[2-(4-acetylphenoxy)acetyl]amino]-3-phenylpropanoate
PubChem CID46637572
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Namemethyl 3-[[2-(4-acetylphenoxy)acetyl]amino]-3-phenylpropanoate
SMILESCOC(=O)CC(NC(=O)COc1ccc(C(C)=O)cc1)c1ccccc1
InChIInChI=1S/C20H21NO5/c1-14(22)15-8-10-17(11-9-15)26-13-19(23)21-18(12-20(24)25-2)16-6-4-3-5-7-16/h3-11,18H,12-13H2,1-2H3,(H,21,23)
InChIKeyMXEOOOZBYXOGLK-UHFFFAOYSA-N
XLogP2.69
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[[2-(4-fluorophenoxy)acetyl]amino]-3-phenylpropanoate
CID 17414893
methyl 3-[[2-(2-methoxyphenoxy)acetyl]amino]-3-phenylpropanoate
CID 18121206
2-(4-acetylphenoxy)-N-(2-methyl-1-phenylpropyl)acetamide
CID 17453100
methyl 3-(4-acetylphenyl)-3-benzamidopropanoate
CID 18797721
methyl (3R)-3-(3,4-dimethoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoate
CID 40856382
ethyl (3S)-3-(4-methoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoate
CID 7045143
methyl (3S)-3-[[2-(2-fluorophenoxy)acetyl]amino]-3-phenylpropanoate
CID 51558007
methyl 3-[4-(4-methoxyphenoxy)butanoylamino]-3-phenylpropanoate
CID 46637530
2-(4-methoxyphenoxy)-N-(1-phenylpropyl)acetamide
CID 17328005
methyl 3-[[2-(methylamino)acetyl]amino]-3-phenylpropanoate
CID 119695221
2-(4-acetylphenoxy)-N-[1-(4-chlorophenyl)propyl]acetamide
CID 51318364
methyl (3S)-3-[(2-cyanoacetyl)amino]-3-phenylpropanoate
CID 96917611

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(4-acetylphenoxy)acetyl]amino]-3-phenylpropanoate?
The IUPAC name of methyl 3-[[2-(4-acetylphenoxy)acetyl]amino]-3-phenylpropanoate (CID 46637572) is methyl 3-[[2-(4-acetylphenoxy)acetyl]amino]-3-phenylpropanoate.
What is the SMILES notation for methyl 3-[[2-(4-acetylphenoxy)acetyl]amino]-3-phenylpropanoate?
The canonical SMILES for methyl 3-[[2-(4-acetylphenoxy)acetyl]amino]-3-phenylpropanoate is COC(=O)CC(NC(=O)COc1ccc(C(C)=O)cc1)c1ccccc1.
What is the InChIKey of methyl 3-[[2-(4-acetylphenoxy)acetyl]amino]-3-phenylpropanoate?
The InChIKey is MXEOOOZBYXOGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5/c1-14(22)15-8-10-17(11-9-15)26-13-19(23)21-18(12-20(24)25-2)16-6-4-3-5-7-16/h3-11,18H,12-13H2,1-2H3,(H,21,23).
What are the key properties of methyl 3-[[2-(4-acetylphenoxy)acetyl]amino]-3-phenylpropanoate?
methyl 3-[[2-(4-acetylphenoxy)acetyl]amino]-3-phenylpropanoate has a molecular weight of 355.39 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(4-acetylphenoxy)acetyl]amino]-3-phenylpropanoate is sourced from PubChem (CID 46637572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).