[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 3-(2-methylphenoxy)propanoate

C20H21NO5 — CID 46789070

IUPAC[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 3-(2-methylphenoxy)propanoate
SMILESCc1ccccc1OCCC(=O)OCC(=O)NC(=O)Cc1ccccc1
InChIInChI=1S/C20H21NO5/c1-15-7-5-6-10-17(15)25-12-11-20(24)26-14-19(23)21-18(22)13-16-8-3-2-4-9-16/h2-10H,11-14H2,1H3,(H,21,22,23)
InChIKeyHJLPOIMJSLCELO-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.19
Rot. Bonds8

About [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 3-(2-methylphenoxy)propanoate

[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 3-(2-methylphenoxy)propanoate (PubChem CID 46789070) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 3-(2-methylphenoxy)propanoate.

Molecular Properties

Compound Name[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 3-(2-methylphenoxy)propanoate
PubChem CID46789070
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Name[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 3-(2-methylphenoxy)propanoate
SMILESCc1ccccc1OCCC(=O)OCC(=O)NC(=O)Cc1ccccc1
InChIInChI=1S/C20H21NO5/c1-15-7-5-6-10-17(15)25-12-11-20(24)26-14-19(23)21-18(22)13-16-8-3-2-4-9-16/h2-10H,11-14H2,1H3,(H,21,22,23)
InChIKeyHJLPOIMJSLCELO-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 3-(2-methylphenoxy)propanoate with MolForge

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Related Compounds

(2-anilino-2-oxoethyl) 3-(2-methylphenoxy)propanoate
CID 9115075
[2-(3,4-dimethylanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 7841895
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 9139997
[2-(2-acetylanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 7841781
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 46789069
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 8579171
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 55316485
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 9139967
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 9140053
[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 3-(2-methylphenoxy)propanoate
CID 7703650
[2-(ethoxycarbonylamino)-2-oxoethyl] 3-(2-ethoxyphenoxy)propanoate
CID 7856618
[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 2-methoxyacetate
CID 2416190

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 3-(2-methylphenoxy)propanoate?
The IUPAC name of [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 3-(2-methylphenoxy)propanoate (CID 46789070) is [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 3-(2-methylphenoxy)propanoate.
What is the SMILES notation for [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 3-(2-methylphenoxy)propanoate?
The canonical SMILES for [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 3-(2-methylphenoxy)propanoate is Cc1ccccc1OCCC(=O)OCC(=O)NC(=O)Cc1ccccc1.
What is the InChIKey of [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 3-(2-methylphenoxy)propanoate?
The InChIKey is HJLPOIMJSLCELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5/c1-15-7-5-6-10-17(15)25-12-11-20(24)26-14-19(23)21-18(22)13-16-8-3-2-4-9-16/h2-10H,11-14H2,1H3,(H,21,22,23).
What are the key properties of [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 3-(2-methylphenoxy)propanoate?
[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 3-(2-methylphenoxy)propanoate has a molecular weight of 355.39 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 3-(2-methylphenoxy)propanoate is sourced from PubChem (CID 46789070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).