ethyl 3-(4-hydroxyphenyl)-2-(1-phenylethylamino)propanoate

C19H23NO3 — CID 18692564

IUPACethyl 3-(4-hydroxyphenyl)-2-(1-phenylethylamino)propanoate
SMILESCCOC(=O)C(Cc1ccc(O)cc1)NC(C)c1ccccc1
InChIInChI=1S/C19H23NO3/c1-3-23-19(22)18(13-15-9-11-17(21)12-10-15)20-14(2)16-7-5-4-6-8-16/h4-12,14,18,20-21H,3,13H2,1-2H3
InChIKeyPOBBLKWQRFJOQT-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.22
Rot. Bonds7

About ethyl 3-(4-hydroxyphenyl)-2-(1-phenylethylamino)propanoate

ethyl 3-(4-hydroxyphenyl)-2-(1-phenylethylamino)propanoate (PubChem CID 18692564) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is ethyl 3-(4-hydroxyphenyl)-2-(1-phenylethylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-(4-hydroxyphenyl)-2-(1-phenylethylamino)propanoate
PubChem CID18692564
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Nameethyl 3-(4-hydroxyphenyl)-2-(1-phenylethylamino)propanoate
SMILESCCOC(=O)C(Cc1ccc(O)cc1)NC(C)c1ccccc1
InChIInChI=1S/C19H23NO3/c1-3-23-19(22)18(13-15-9-11-17(21)12-10-15)20-14(2)16-7-5-4-6-8-16/h4-12,14,18,20-21H,3,13H2,1-2H3
InChIKeyPOBBLKWQRFJOQT-UHFFFAOYSA-N
XLogP3.22
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2S)-2-[[(1S)-1-phenylethyl]amino]butanoate
CID 101344394
ethyl 2-(3,3-diphenylpropanoylamino)-3-(4-hydroxyphenyl)propanoate
CID 18468105
ethyl 3-(4-hydroxyphenyl)-2-[(2-phenylacetyl)amino]propanoate
CID 11131238
2-[(1-ethoxy-1-oxo-3-phenylpropan-2-yl)amino]propanoic acid
CID 14036499
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 3-(4-hydroxyphenyl)-2-[(2-iodoacetyl)amino]propanoate
CID 168727157
ethyl 3-phenyl-3-(1-phenylethylamino)propanoate
CID 76738630
(2S)-2-[[3-(4-aminophenyl)-1-ethoxy-1-oxopropan-2-yl]amino]propanoic acid
CID 57325176
ethyl (2S)-3-(4-hydroxyphenyl)-2-(2,2,2-trifluoroethylamino)propanoate
CID 101384304
ethyl 2-(2,2-dimethylpropanoylamino)-3-(4-hydroxyphenyl)propanoate
CID 3372562
ethyl (2S)-2-[[(2R,3R)-2-amino-3-hydroxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoate
CID 7073375

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-hydroxyphenyl)-2-(1-phenylethylamino)propanoate?
The IUPAC name of ethyl 3-(4-hydroxyphenyl)-2-(1-phenylethylamino)propanoate (CID 18692564) is ethyl 3-(4-hydroxyphenyl)-2-(1-phenylethylamino)propanoate.
What is the SMILES notation for ethyl 3-(4-hydroxyphenyl)-2-(1-phenylethylamino)propanoate?
The canonical SMILES for ethyl 3-(4-hydroxyphenyl)-2-(1-phenylethylamino)propanoate is CCOC(=O)C(Cc1ccc(O)cc1)NC(C)c1ccccc1.
What is the InChIKey of ethyl 3-(4-hydroxyphenyl)-2-(1-phenylethylamino)propanoate?
The InChIKey is POBBLKWQRFJOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-3-23-19(22)18(13-15-9-11-17(21)12-10-15)20-14(2)16-7-5-4-6-8-16/h4-12,14,18,20-21H,3,13H2,1-2H3.
What are the key properties of ethyl 3-(4-hydroxyphenyl)-2-(1-phenylethylamino)propanoate?
ethyl 3-(4-hydroxyphenyl)-2-(1-phenylethylamino)propanoate has a molecular weight of 313.40 g/mol, XLogP of 3.22, 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-(1-phenylethylamino)propanoate is sourced from PubChem (CID 18692564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).