[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate

C22H26N2O5 — CID 8842322

IUPAC[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate
SMILESCCc1ccc(NC(=O)[C@@H](C)OC(=O)[C@H](C)NC(=O)COc2ccccc2)cc1
InChIInChI=1S/C22H26N2O5/c1-4-17-10-12-18(13-11-17)24-21(26)16(3)29-22(27)15(2)23-20(25)14-28-19-8-6-5-7-9-19/h5-13,15-16H,4,14H2,1-3H3,(H,23,25)(H,24,26)/t15-,16+/m0/s1
InChIKeyBNNXHXXHEQZESJ-JKSUJKDBSA-N
MW398.46 g/mol
LogP2.70
Rot. Bonds9

About [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate

[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate (PubChem CID 8842322) has the molecular formula C22H26N2O5 and a molecular weight of 398.46 g/mol. Its IUPAC name is [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate.

Molecular Properties

Compound Name[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate
PubChem CID8842322
Molecular FormulaC22H26N2O5
Molecular Weight398.46 g/mol
Exact Mass398.18
IUPAC Name[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate
SMILESCCc1ccc(NC(=O)[C@@H](C)OC(=O)[C@H](C)NC(=O)COc2ccccc2)cc1
InChIInChI=1S/C22H26N2O5/c1-4-17-10-12-18(13-11-17)24-21(26)16(3)29-22(27)15(2)23-20(25)14-28-19-8-6-5-7-9-19/h5-13,15-16H,4,14H2,1-3H3,(H,23,25)(H,24,26)/t15-,16+/m0/s1
InChIKeyBNNXHXXHEQZESJ-JKSUJKDBSA-N
XLogP2.70
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate with MolForge

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Related Compounds

[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate
CID 8842680
[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate
CID 8842308
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-phenoxyacetate
CID 7980214
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] (2S)-2-(phenylcarbamoylamino)propanoate
CID 8887293
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate
CID 8842761
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate
CID 8842663
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(4-ethylphenoxy)acetate
CID 7844674
[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7616772
N-[1-(4-ethylphenyl)ethyl]-2-phenoxyacetamide
CID 17326821
2-(4-ethylphenoxy)-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 4958186
methyl 4-[[2-[(2S)-2-[(2-phenoxyacetyl)amino]propanoyl]oxyacetyl]amino]benzoate
CID 8842240
[(1S)-1-cyanoethyl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate
CID 8842803

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate?
The IUPAC name of [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate (CID 8842322) is [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate.
What is the SMILES notation for [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate?
The canonical SMILES for [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate is CCc1ccc(NC(=O)[C@@H](C)OC(=O)[C@H](C)NC(=O)COc2ccccc2)cc1.
What is the InChIKey of [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate?
The InChIKey is BNNXHXXHEQZESJ-JKSUJKDBSA-N. The full InChI is InChI=1S/C22H26N2O5/c1-4-17-10-12-18(13-11-17)24-21(26)16(3)29-22(27)15(2)23-20(25)14-28-19-8-6-5-7-9-19/h5-13,15-16H,4,14H2,1-3H3,(H,23,25)(H,24,26)/t15-,16+/m0/s1.
What are the key properties of [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate?
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate has a molecular weight of 398.46 g/mol, XLogP of 2.70, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate is sourced from PubChem (CID 8842322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).