[2-(4-ethoxyphenyl)-2-oxoethyl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate

C21H23NO6 — CID 8842869

IUPAC[2-(4-ethoxyphenyl)-2-oxoethyl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate
SMILESCCOc1ccc(C(=O)COC(=O)[C@H](C)NC(=O)COc2ccccc2)cc1
InChIInChI=1S/C21H23NO6/c1-3-26-18-11-9-16(10-12-18)19(23)13-28-21(25)15(2)22-20(24)14-27-17-7-5-4-6-8-17/h4-12,15H,3,13-14H2,1-2H3,(H,22,24)/t15-/m0/s1
InChIKeyUZPOTPQWVOBEHE-HNNXBMFYSA-N
MW385.42 g/mol
LogP2.39
Rot. Bonds10

About [2-(4-ethoxyphenyl)-2-oxoethyl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate

[2-(4-ethoxyphenyl)-2-oxoethyl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate (PubChem CID 8842869) has the molecular formula C21H23NO6 and a molecular weight of 385.42 g/mol. Its IUPAC name is [2-(4-ethoxyphenyl)-2-oxoethyl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate.

Molecular Properties

Compound Name[2-(4-ethoxyphenyl)-2-oxoethyl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate
PubChem CID8842869
Molecular FormulaC21H23NO6
Molecular Weight385.42 g/mol
Exact Mass385.15
IUPAC Name[2-(4-ethoxyphenyl)-2-oxoethyl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate
SMILESCCOc1ccc(C(=O)COC(=O)[C@H](C)NC(=O)COc2ccccc2)cc1
InChIInChI=1S/C21H23NO6/c1-3-26-18-11-9-16(10-12-18)19(23)13-28-21(25)15(2)22-20(24)14-27-17-7-5-4-6-8-17/h4-12,15H,3,13-14H2,1-2H3,(H,22,24)/t15-/m0/s1
InChIKeyUZPOTPQWVOBEHE-HNNXBMFYSA-N
XLogP2.39
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[[2-[(2S)-2-[(2-phenoxyacetyl)amino]propanoyl]oxyacetyl]amino]benzoate
CID 8842240
[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate
CID 8842308
[2-(4-ethoxyphenyl)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate
CID 8849505
[(1S)-1-cyanoethyl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate
CID 8842803
(2S)-2-[[2-(4-carbamoylphenoxy)acetyl]amino]propanoic acid
CID 119943040
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate
CID 8842663
2-phenoxy-N-propan-2-ylacetamide
CID 3614481
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate
CID 8842536
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate
CID 8842322
[2-(4-ethoxyphenyl)-2-oxoethyl] 4-benzoylbenzoate
CID 7203723
ethyl (2S)-2-[[2-[4-(2-amino-2-oxoethyl)phenoxy]acetyl]amino]propanoate
CID 95762944
N-(1-aminopropan-2-yl)-2-phenoxyacetamide
CID 63732380

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethoxyphenyl)-2-oxoethyl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate?
The IUPAC name of [2-(4-ethoxyphenyl)-2-oxoethyl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate (CID 8842869) is [2-(4-ethoxyphenyl)-2-oxoethyl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate.
What is the SMILES notation for [2-(4-ethoxyphenyl)-2-oxoethyl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate?
The canonical SMILES for [2-(4-ethoxyphenyl)-2-oxoethyl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate is CCOc1ccc(C(=O)COC(=O)[C@H](C)NC(=O)COc2ccccc2)cc1.
What is the InChIKey of [2-(4-ethoxyphenyl)-2-oxoethyl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate?
The InChIKey is UZPOTPQWVOBEHE-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H23NO6/c1-3-26-18-11-9-16(10-12-18)19(23)13-28-21(25)15(2)22-20(24)14-27-17-7-5-4-6-8-17/h4-12,15H,3,13-14H2,1-2H3,(H,22,24)/t15-/m0/s1.
What are the key properties of [2-(4-ethoxyphenyl)-2-oxoethyl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate?
[2-(4-ethoxyphenyl)-2-oxoethyl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate has a molecular weight of 385.42 g/mol, XLogP of 2.39, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethoxyphenyl)-2-oxoethyl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate is sourced from PubChem (CID 8842869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).