ethyl 4-[[2-[(2R)-2-phenoxypropanoyl]oxyacetyl]amino]benzoate

C20H21NO6 — CID 8791486

IUPACethyl 4-[[2-[(2R)-2-phenoxypropanoyl]oxyacetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H](C)Oc2ccccc2)cc1
InChIInChI=1S/C20H21NO6/c1-3-25-20(24)15-9-11-16(12-10-15)21-18(22)13-26-19(23)14(2)27-17-7-5-4-6-8-17/h4-12,14H,3,13H2,1-2H3,(H,21,22)/t14-/m1/s1
InChIKeyFRUWQRZQMNFJGG-CQSZACIVSA-N
MW371.39 g/mol
LogP2.81
Rot. Bonds8

About ethyl 4-[[2-[(2R)-2-phenoxypropanoyl]oxyacetyl]amino]benzoate

ethyl 4-[[2-[(2R)-2-phenoxypropanoyl]oxyacetyl]amino]benzoate (PubChem CID 8791486) has the molecular formula C20H21NO6 and a molecular weight of 371.39 g/mol. Its IUPAC name is ethyl 4-[[2-[(2R)-2-phenoxypropanoyl]oxyacetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-[(2R)-2-phenoxypropanoyl]oxyacetyl]amino]benzoate
PubChem CID8791486
Molecular FormulaC20H21NO6
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC Nameethyl 4-[[2-[(2R)-2-phenoxypropanoyl]oxyacetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H](C)Oc2ccccc2)cc1
InChIInChI=1S/C20H21NO6/c1-3-25-20(24)15-9-11-16(12-10-15)21-18(22)13-26-19(23)14(2)27-17-7-5-4-6-8-17/h4-12,14H,3,13H2,1-2H3,(H,21,22)/t14-/m1/s1
InChIKeyFRUWQRZQMNFJGG-CQSZACIVSA-N
XLogP2.81
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[[2-[(2S)-2-phenoxybutanoyl]oxyacetyl]amino]benzoate
CID 7233328
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] (2R)-2-phenoxypropanoate
CID 7833731
dimethyl 5-[[2-(2-phenoxypropanoyloxy)acetyl]amino]benzene-1,3-dicarboxylate
CID 55315340
[2-[4-(cyanomethyl)anilino]-2-oxoethyl] (2R)-2-phenoxypropanoate
CID 8938076
ethyl 4-[[2-[(2S)-2-benzamido-4-methylpentanoyl]oxyacetyl]amino]benzoate
CID 42582977
[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 2-phenoxypropanoate
CID 55366679
[2-(3-methoxyanilino)-2-oxoethyl] (2R)-2-phenoxypropanoate
CID 7833680
[2-oxo-2-(4-phenoxyanilino)ethyl] 4-phenoxybenzoate
CID 17259515
ethyl 4-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzoate
CID 837427
[2-(2-ethoxyanilino)-2-oxoethyl] (2R)-2-phenoxypropanoate
CID 8791422
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 4-phenoxybenzoate
CID 7859725
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] (2R)-2-phenoxypropanoate
CID 7833499

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[(2R)-2-phenoxypropanoyl]oxyacetyl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-[(2R)-2-phenoxypropanoyl]oxyacetyl]amino]benzoate (CID 8791486) is ethyl 4-[[2-[(2R)-2-phenoxypropanoyl]oxyacetyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-[(2R)-2-phenoxypropanoyl]oxyacetyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-[(2R)-2-phenoxypropanoyl]oxyacetyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H](C)Oc2ccccc2)cc1.
What is the InChIKey of ethyl 4-[[2-[(2R)-2-phenoxypropanoyl]oxyacetyl]amino]benzoate?
The InChIKey is FRUWQRZQMNFJGG-CQSZACIVSA-N. The full InChI is InChI=1S/C20H21NO6/c1-3-25-20(24)15-9-11-16(12-10-15)21-18(22)13-26-19(23)14(2)27-17-7-5-4-6-8-17/h4-12,14H,3,13H2,1-2H3,(H,21,22)/t14-/m1/s1.
What are the key properties of ethyl 4-[[2-[(2R)-2-phenoxypropanoyl]oxyacetyl]amino]benzoate?
ethyl 4-[[2-[(2R)-2-phenoxypropanoyl]oxyacetyl]amino]benzoate has a molecular weight of 371.39 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[(2R)-2-phenoxypropanoyl]oxyacetyl]amino]benzoate is sourced from PubChem (CID 8791486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).