ethyl 2-(3,3-diphenylpropanoylamino)-3-(4-hydroxyphenyl)propanoate

C26H27NO4 — CID 18468105

IUPACethyl 2-(3,3-diphenylpropanoylamino)-3-(4-hydroxyphenyl)propanoate
SMILESCCOC(=O)C(Cc1ccc(O)cc1)NC(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H27NO4/c1-2-31-26(30)24(17-19-13-15-22(28)16-14-19)27-25(29)18-23(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,23-24,28H,2,17-18H2,1H3,(H,27,29)
InChIKeyRZNIPUOEYXBRHJ-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.20
Rot. Bonds9

About ethyl 2-(3,3-diphenylpropanoylamino)-3-(4-hydroxyphenyl)propanoate

ethyl 2-(3,3-diphenylpropanoylamino)-3-(4-hydroxyphenyl)propanoate (PubChem CID 18468105) has the molecular formula C26H27NO4 and a molecular weight of 417.51 g/mol. Its IUPAC name is ethyl 2-(3,3-diphenylpropanoylamino)-3-(4-hydroxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl 2-(3,3-diphenylpropanoylamino)-3-(4-hydroxyphenyl)propanoate
PubChem CID18468105
Molecular FormulaC26H27NO4
Molecular Weight417.51 g/mol
Exact Mass417.19
IUPAC Nameethyl 2-(3,3-diphenylpropanoylamino)-3-(4-hydroxyphenyl)propanoate
SMILESCCOC(=O)C(Cc1ccc(O)cc1)NC(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H27NO4/c1-2-31-26(30)24(17-19-13-15-22(28)16-14-19)27-25(29)18-23(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,23-24,28H,2,17-18H2,1H3,(H,27,29)
InChIKeyRZNIPUOEYXBRHJ-UHFFFAOYSA-N
XLogP4.20
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(4-hydroxyphenyl)-2-[(2-phenylacetyl)amino]propanoate
CID 11131238
ethyl 3-(4-hydroxyphenyl)-2-[(2-iodoacetyl)amino]propanoate
CID 168727157
ethyl 3-(4-hydroxyphenyl)-2-(1-phenylethylamino)propanoate
CID 18692564
2-[[1-ethoxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]benzoic acid
CID 68842473
ethyl (2S)-2-acetamido-3-(4-hydroxyphenyl)propanoate;hydrate
CID 2723594
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
(3S)-3-amino-4-[[(2S)-1-ethoxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid;hydrochloride
CID 70635998
ethyl (2R)-3-(4-aminophenyl)-2-(propanoylamino)propanoate
CID 154677525
ethyl 2-(2,2-dimethylpropanoylamino)-3-(4-hydroxyphenyl)propanoate
CID 3372562
benzyl (2S)-2-(decanoylamino)-3-(4-hydroxyphenyl)propanoate
CID 6709913
benzyl (2S)-2-[(2-aminoacetyl)amino]-3-(4-hydroxyphenyl)propanoate
CID 91977223

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,3-diphenylpropanoylamino)-3-(4-hydroxyphenyl)propanoate?
The IUPAC name of ethyl 2-(3,3-diphenylpropanoylamino)-3-(4-hydroxyphenyl)propanoate (CID 18468105) is ethyl 2-(3,3-diphenylpropanoylamino)-3-(4-hydroxyphenyl)propanoate.
What is the SMILES notation for ethyl 2-(3,3-diphenylpropanoylamino)-3-(4-hydroxyphenyl)propanoate?
The canonical SMILES for ethyl 2-(3,3-diphenylpropanoylamino)-3-(4-hydroxyphenyl)propanoate is CCOC(=O)C(Cc1ccc(O)cc1)NC(=O)CC(c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl 2-(3,3-diphenylpropanoylamino)-3-(4-hydroxyphenyl)propanoate?
The InChIKey is RZNIPUOEYXBRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO4/c1-2-31-26(30)24(17-19-13-15-22(28)16-14-19)27-25(29)18-23(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,23-24,28H,2,17-18H2,1H3,(H,27,29).
What are the key properties of ethyl 2-(3,3-diphenylpropanoylamino)-3-(4-hydroxyphenyl)propanoate?
ethyl 2-(3,3-diphenylpropanoylamino)-3-(4-hydroxyphenyl)propanoate has a molecular weight of 417.51 g/mol, XLogP of 4.20, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,3-diphenylpropanoylamino)-3-(4-hydroxyphenyl)propanoate is sourced from PubChem (CID 18468105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).