[1-oxo-1-(2-phenylanilino)propan-2-yl] 2-[(2-phenoxyacetyl)amino]acetate

C25H24N2O5 — CID 42969147

IUPAC[1-oxo-1-(2-phenylanilino)propan-2-yl] 2-[(2-phenoxyacetyl)amino]acetate
SMILESCC(OC(=O)CNC(=O)COc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C25H24N2O5/c1-18(32-24(29)16-26-23(28)17-31-20-12-6-3-7-13-20)25(30)27-22-15-9-8-14-21(22)19-10-4-2-5-11-19/h2-15,18H,16-17H2,1H3,(H,26,28)(H,27,30)
InChIKeyRYKUYLQAKOJRIJ-UHFFFAOYSA-N
MW432.48 g/mol
LogP3.42
Rot. Bonds9

About [1-oxo-1-(2-phenylanilino)propan-2-yl] 2-[(2-phenoxyacetyl)amino]acetate

[1-oxo-1-(2-phenylanilino)propan-2-yl] 2-[(2-phenoxyacetyl)amino]acetate (PubChem CID 42969147) has the molecular formula C25H24N2O5 and a molecular weight of 432.48 g/mol. Its IUPAC name is [1-oxo-1-(2-phenylanilino)propan-2-yl] 2-[(2-phenoxyacetyl)amino]acetate.

Molecular Properties

Compound Name[1-oxo-1-(2-phenylanilino)propan-2-yl] 2-[(2-phenoxyacetyl)amino]acetate
PubChem CID42969147
Molecular FormulaC25H24N2O5
Molecular Weight432.48 g/mol
Exact Mass432.17
IUPAC Name[1-oxo-1-(2-phenylanilino)propan-2-yl] 2-[(2-phenoxyacetyl)amino]acetate
SMILESCC(OC(=O)CNC(=O)COc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C25H24N2O5/c1-18(32-24(29)16-26-23(28)17-31-20-12-6-3-7-13-20)25(30)27-22-15-9-8-14-21(22)19-10-4-2-5-11-19/h2-15,18H,16-17H2,1H3,(H,26,28)(H,27,30)
InChIKeyRYKUYLQAKOJRIJ-UHFFFAOYSA-N
XLogP3.42
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] 2-phenoxyacetate
CID 7980293
[(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] 3-phenoxypropanoate
CID 7841449
[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(4-fluorophenoxy)acetate
CID 7791471
[1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(4-ethylphenoxy)acetate
CID 18273755
[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(2-methoxyphenoxy)acetate
CID 7854072
[1-oxo-1-(2-phenylanilino)propan-2-yl] 2-[(3-bromobenzoyl)amino]acetate
CID 42969052
[1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-[(2-phenoxyacetyl)amino]acetate
CID 55405256
[(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(2-chlorophenoxy)acetate
CID 7847274
[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] 3-(carbamoylamino)propanoate
CID 8641965
[(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
[(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] 3-thiophen-3-ylpropanoate
CID 8654468

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(2-phenylanilino)propan-2-yl] 2-[(2-phenoxyacetyl)amino]acetate?
The IUPAC name of [1-oxo-1-(2-phenylanilino)propan-2-yl] 2-[(2-phenoxyacetyl)amino]acetate (CID 42969147) is [1-oxo-1-(2-phenylanilino)propan-2-yl] 2-[(2-phenoxyacetyl)amino]acetate.
What is the SMILES notation for [1-oxo-1-(2-phenylanilino)propan-2-yl] 2-[(2-phenoxyacetyl)amino]acetate?
The canonical SMILES for [1-oxo-1-(2-phenylanilino)propan-2-yl] 2-[(2-phenoxyacetyl)amino]acetate is CC(OC(=O)CNC(=O)COc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1.
What is the InChIKey of [1-oxo-1-(2-phenylanilino)propan-2-yl] 2-[(2-phenoxyacetyl)amino]acetate?
The InChIKey is RYKUYLQAKOJRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O5/c1-18(32-24(29)16-26-23(28)17-31-20-12-6-3-7-13-20)25(30)27-22-15-9-8-14-21(22)19-10-4-2-5-11-19/h2-15,18H,16-17H2,1H3,(H,26,28)(H,27,30).
What are the key properties of [1-oxo-1-(2-phenylanilino)propan-2-yl] 2-[(2-phenoxyacetyl)amino]acetate?
[1-oxo-1-(2-phenylanilino)propan-2-yl] 2-[(2-phenoxyacetyl)amino]acetate has a molecular weight of 432.48 g/mol, XLogP of 3.42, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(2-phenylanilino)propan-2-yl] 2-[(2-phenoxyacetyl)amino]acetate is sourced from PubChem (CID 42969147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).