[1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(4-ethylphenoxy)acetate

C25H25NO4 — CID 18273755

IUPAC[1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(4-ethylphenoxy)acetate
SMILESCCc1ccc(OCC(=O)OC(C)C(=O)Nc2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C25H25NO4/c1-3-19-13-15-21(16-14-19)29-17-24(27)30-18(2)25(28)26-23-12-8-7-11-22(23)20-9-5-4-6-10-20/h4-16,18H,3,17H2,1-2H3,(H,26,28)
InChIKeyLHKYDCPRBPPOFR-UHFFFAOYSA-N
MW403.48 g/mol
LogP4.87
Rot. Bonds8

About [1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(4-ethylphenoxy)acetate

[1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(4-ethylphenoxy)acetate (PubChem CID 18273755) has the molecular formula C25H25NO4 and a molecular weight of 403.48 g/mol. Its IUPAC name is [1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(4-ethylphenoxy)acetate.

Molecular Properties

Compound Name[1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(4-ethylphenoxy)acetate
PubChem CID18273755
Molecular FormulaC25H25NO4
Molecular Weight403.48 g/mol
Exact Mass403.18
IUPAC Name[1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(4-ethylphenoxy)acetate
SMILESCCc1ccc(OCC(=O)OC(C)C(=O)Nc2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C25H25NO4/c1-3-19-13-15-21(16-14-19)29-17-24(27)30-18(2)25(28)26-23-12-8-7-11-22(23)20-9-5-4-6-10-20/h4-16,18H,3,17H2,1-2H3,(H,26,28)
InChIKeyLHKYDCPRBPPOFR-UHFFFAOYSA-N
XLogP4.87
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] 2-phenoxyacetate
CID 7980293
[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(4-fluorophenoxy)acetate
CID 7791471
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-phenoxyacetate
CID 7980214
[1-oxo-1-(2-phenylanilino)propan-2-yl] 2-[(2-phenoxyacetyl)amino]acetate
CID 42969147
[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(2-methoxyphenoxy)acetate
CID 7854072
[(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] 3-phenoxypropanoate
CID 7841449
[(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(2-chlorophenoxy)acetate
CID 7847274
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(4-ethylphenoxy)acetate
CID 7844674
[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(2-formylphenoxy)acetate
CID 8608700
[1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(2-nitrophenoxy)acetate
CID 42968431
(1-oxo-1-phenylpropan-2-yl) 2-(4-ethylphenoxy)acetate
CID 55316789
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-(4-ethoxyphenoxy)acetate
CID 7273832

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(4-ethylphenoxy)acetate?
The IUPAC name of [1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(4-ethylphenoxy)acetate (CID 18273755) is [1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(4-ethylphenoxy)acetate.
What is the SMILES notation for [1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(4-ethylphenoxy)acetate?
The canonical SMILES for [1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(4-ethylphenoxy)acetate is CCc1ccc(OCC(=O)OC(C)C(=O)Nc2ccccc2-c2ccccc2)cc1.
What is the InChIKey of [1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(4-ethylphenoxy)acetate?
The InChIKey is LHKYDCPRBPPOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO4/c1-3-19-13-15-21(16-14-19)29-17-24(27)30-18(2)25(28)26-23-12-8-7-11-22(23)20-9-5-4-6-10-20/h4-16,18H,3,17H2,1-2H3,(H,26,28).
What are the key properties of [1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(4-ethylphenoxy)acetate?
[1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(4-ethylphenoxy)acetate has a molecular weight of 403.48 g/mol, XLogP of 4.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(4-ethylphenoxy)acetate is sourced from PubChem (CID 18273755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).