ethyl 3-(4-hydroxyphenyl)-2-[(2-phenylacetyl)amino]propanoate

C19H21NO4 — CID 11131238

IUPACethyl 3-(4-hydroxyphenyl)-2-[(2-phenylacetyl)amino]propanoate
SMILESCCOC(=O)C(Cc1ccc(O)cc1)NC(=O)Cc1ccccc1
InChIInChI=1S/C19H21NO4/c1-2-24-19(23)17(12-15-8-10-16(21)11-9-15)20-18(22)13-14-6-4-3-5-7-14/h3-11,17,21H,2,12-13H2,1H3,(H,20,22)
InChIKeyCUKZFXPYGLVPOB-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.23
Rot. Bonds7

About ethyl 3-(4-hydroxyphenyl)-2-[(2-phenylacetyl)amino]propanoate

ethyl 3-(4-hydroxyphenyl)-2-[(2-phenylacetyl)amino]propanoate (PubChem CID 11131238) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is ethyl 3-(4-hydroxyphenyl)-2-[(2-phenylacetyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-(4-hydroxyphenyl)-2-[(2-phenylacetyl)amino]propanoate
PubChem CID11131238
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Nameethyl 3-(4-hydroxyphenyl)-2-[(2-phenylacetyl)amino]propanoate
SMILESCCOC(=O)C(Cc1ccc(O)cc1)NC(=O)Cc1ccccc1
InChIInChI=1S/C19H21NO4/c1-2-24-19(23)17(12-15-8-10-16(21)11-9-15)20-18(22)13-14-6-4-3-5-7-14/h3-11,17,21H,2,12-13H2,1H3,(H,20,22)
InChIKeyCUKZFXPYGLVPOB-UHFFFAOYSA-N
XLogP2.23
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(4-hydroxyphenyl)-2-[(2-iodoacetyl)amino]propanoate
CID 168727157
ethyl 2-(3,3-diphenylpropanoylamino)-3-(4-hydroxyphenyl)propanoate
CID 18468105
ethyl 3-phenyl-2-[(2-thiophen-3-ylacetyl)amino]propanoate
CID 110183706
ethyl (2S)-2-[[2-(4-hydroxyphenoxy)acetyl]amino]-3-(4-hydroxyphenyl)propanoate
CID 70496078
ethyl (2S)-3-phenyl-2-[(2-sulfanylacetyl)amino]propanoate
CID 25257147
ethyl 2-[[2-[4-(2-amino-2-oxoethyl)phenoxy]acetyl]amino]-3-phenylpropanoate
CID 48680471
2-[[1-ethoxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]benzoic acid
CID 68842473
benzyl (2S)-2-(decanoylamino)-3-(4-hydroxyphenyl)propanoate
CID 6709913
ethyl (2S)-2-acetamido-3-(4-hydroxyphenyl)propanoate;hydrate
CID 2723594
(1-ethoxy-1-oxo-3-phenylpropan-2-yl)carbamodithioic acid
CID 11780574
methyl 2-[[2-(4-ethoxyphenyl)acetyl]amino]-3-phenylpropanoate
CID 110493570
benzyl (2S)-2-[(2-aminoacetyl)amino]-3-(4-hydroxyphenyl)propanoate
CID 91977223

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-hydroxyphenyl)-2-[(2-phenylacetyl)amino]propanoate?
The IUPAC name of ethyl 3-(4-hydroxyphenyl)-2-[(2-phenylacetyl)amino]propanoate (CID 11131238) is ethyl 3-(4-hydroxyphenyl)-2-[(2-phenylacetyl)amino]propanoate.
What is the SMILES notation for ethyl 3-(4-hydroxyphenyl)-2-[(2-phenylacetyl)amino]propanoate?
The canonical SMILES for ethyl 3-(4-hydroxyphenyl)-2-[(2-phenylacetyl)amino]propanoate is CCOC(=O)C(Cc1ccc(O)cc1)NC(=O)Cc1ccccc1.
What is the InChIKey of ethyl 3-(4-hydroxyphenyl)-2-[(2-phenylacetyl)amino]propanoate?
The InChIKey is CUKZFXPYGLVPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-2-24-19(23)17(12-15-8-10-16(21)11-9-15)20-18(22)13-14-6-4-3-5-7-14/h3-11,17,21H,2,12-13H2,1H3,(H,20,22).
What are the key properties of ethyl 3-(4-hydroxyphenyl)-2-[(2-phenylacetyl)amino]propanoate?
ethyl 3-(4-hydroxyphenyl)-2-[(2-phenylacetyl)amino]propanoate has a molecular weight of 327.38 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-hydroxyphenyl)-2-[(2-phenylacetyl)amino]propanoate is sourced from PubChem (CID 11131238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).