[2-oxo-2-(2-phenylethylamino)ethyl] 4-(4-methoxyphenoxy)butanoate

C21H25NO5 — CID 7210258

IUPAC[2-oxo-2-(2-phenylethylamino)ethyl] 4-(4-methoxyphenoxy)butanoate
SMILESCOc1ccc(OCCCC(=O)OCC(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C21H25NO5/c1-25-18-9-11-19(12-10-18)26-15-5-8-21(24)27-16-20(23)22-14-13-17-6-3-2-4-7-17/h2-4,6-7,9-12H,5,8,13-16H2,1H3,(H,22,23)
InChIKeyBWLGCRXSIUXNJT-UHFFFAOYSA-N
MW371.43 g/mol
LogP2.76
Rot. Bonds11

About [2-oxo-2-(2-phenylethylamino)ethyl] 4-(4-methoxyphenoxy)butanoate

[2-oxo-2-(2-phenylethylamino)ethyl] 4-(4-methoxyphenoxy)butanoate (PubChem CID 7210258) has the molecular formula C21H25NO5 and a molecular weight of 371.43 g/mol. Its IUPAC name is [2-oxo-2-(2-phenylethylamino)ethyl] 4-(4-methoxyphenoxy)butanoate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenylethylamino)ethyl] 4-(4-methoxyphenoxy)butanoate
PubChem CID7210258
Molecular FormulaC21H25NO5
Molecular Weight371.43 g/mol
Exact Mass371.17
IUPAC Name[2-oxo-2-(2-phenylethylamino)ethyl] 4-(4-methoxyphenoxy)butanoate
SMILESCOc1ccc(OCCCC(=O)OCC(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C21H25NO5/c1-25-18-9-11-19(12-10-18)26-15-5-8-21(24)27-16-20(23)22-14-13-17-6-3-2-4-7-17/h2-4,6-7,9-12H,5,8,13-16H2,1H3,(H,22,23)
InChIKeyBWLGCRXSIUXNJT-UHFFFAOYSA-N
XLogP2.76
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-oxo-2-(pentylamino)ethyl] 4-(4-methoxyphenoxy)butanoate
CID 55402588
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-phenylphenoxy)acetate
CID 9140643
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 9140053
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 40692952
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 4-phenoxybutanoate
CID 8578548
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3,3-diphenylpropanoate
CID 8752538
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 8524322
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 4-(4-methoxyphenoxy)butanoate
CID 7147418
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 8913578
[2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 3-(4-methoxyphenyl)propanoate
CID 7628890
[2-(naphthalen-1-ylamino)-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate
CID 7147366
[2-oxo-2-(propan-2-ylamino)ethyl] 4-(4-methoxyphenoxy)butanoate
CID 7147025

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 4-(4-methoxyphenoxy)butanoate?
The IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 4-(4-methoxyphenoxy)butanoate (CID 7210258) is [2-oxo-2-(2-phenylethylamino)ethyl] 4-(4-methoxyphenoxy)butanoate.
What is the SMILES notation for [2-oxo-2-(2-phenylethylamino)ethyl] 4-(4-methoxyphenoxy)butanoate?
The canonical SMILES for [2-oxo-2-(2-phenylethylamino)ethyl] 4-(4-methoxyphenoxy)butanoate is COc1ccc(OCCCC(=O)OCC(=O)NCCc2ccccc2)cc1.
What is the InChIKey of [2-oxo-2-(2-phenylethylamino)ethyl] 4-(4-methoxyphenoxy)butanoate?
The InChIKey is BWLGCRXSIUXNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO5/c1-25-18-9-11-19(12-10-18)26-15-5-8-21(24)27-16-20(23)22-14-13-17-6-3-2-4-7-17/h2-4,6-7,9-12H,5,8,13-16H2,1H3,(H,22,23).
What are the key properties of [2-oxo-2-(2-phenylethylamino)ethyl] 4-(4-methoxyphenoxy)butanoate?
[2-oxo-2-(2-phenylethylamino)ethyl] 4-(4-methoxyphenoxy)butanoate has a molecular weight of 371.43 g/mol, XLogP of 2.76, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenylethylamino)ethyl] 4-(4-methoxyphenoxy)butanoate is sourced from PubChem (CID 7210258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).