(E)-3-[3-(2-amino-1-hydroxy-2-oxo-1-phenylethyl)-2-ethenylphenyl]-2-methylprop-2-enamide

C20H20N2O3 — CID 171058554

IUPAC(E)-3-[3-(2-amino-1-hydroxy-2-oxo-1-phenylethyl)-2-ethenylphenyl]-2-methylprop-2-enamide
SMILESC=Cc1c(/C=C(\C)C(N)=O)cccc1C(O)(C(N)=O)c1ccccc1
InChIInChI=1S/C20H20N2O3/c1-3-16-14(12-13(2)18(21)23)8-7-11-17(16)20(25,19(22)24)15-9-5-4-6-10-15/h3-12,25H,1H2,2H3,(H2,21,23)(H2,22,24)/b13-12+
InChIKeyZGOKYLNXDBLNTG-OUKQBFOZSA-N
MW336.39 g/mol
LogP1.94
Rot. Bonds6

About (E)-3-[3-(2-amino-1-hydroxy-2-oxo-1-phenylethyl)-2-ethenylphenyl]-2-methylprop-2-enamide

(E)-3-[3-(2-amino-1-hydroxy-2-oxo-1-phenylethyl)-2-ethenylphenyl]-2-methylprop-2-enamide (PubChem CID 171058554) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is (E)-3-[3-(2-amino-1-hydroxy-2-oxo-1-phenylethyl)-2-ethenylphenyl]-2-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[3-(2-amino-1-hydroxy-2-oxo-1-phenylethyl)-2-ethenylphenyl]-2-methylprop-2-enamide
PubChem CID171058554
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name(E)-3-[3-(2-amino-1-hydroxy-2-oxo-1-phenylethyl)-2-ethenylphenyl]-2-methylprop-2-enamide
SMILESC=Cc1c(/C=C(\C)C(N)=O)cccc1C(O)(C(N)=O)c1ccccc1
InChIInChI=1S/C20H20N2O3/c1-3-16-14(12-13(2)18(21)23)8-7-11-17(16)20(25,19(22)24)15-9-5-4-6-10-15/h3-12,25H,1H2,2H3,(H2,21,23)(H2,22,24)/b13-12+
InChIKeyZGOKYLNXDBLNTG-OUKQBFOZSA-N
XLogP1.94
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-ethenylphenyl)-2-hydroxy-2-phenylacetamide
CID 139691139
3-(2-tert-butylphenyl)-2-methylprop-2-enamide
CID 163362591
2-hydroxy-2-phenyl-2-(2-propan-2-ylphenyl)acetamide
CID 156632345
(2R)-2-amino-2-(2-ethenylphenyl)propanoic acid
CID 130657894
3-[2-(2-aminobenzoyl)phenyl]-2-methylprop-2-enamide
CID 73431531
(E)-3-[2-(2-aminobenzoyl)phenyl]-2-methylprop-2-enamide
CID 18348022
(2S)-2-hydroxy-2-[2-(methoxymethyl)phenyl]-2-phenylacetamide
CID 139703123
2-hydroxy-2-phenyl-2-[2-(trifluoromethoxy)phenyl]acetamide
CID 139932194
1,2-bis(ethenyl)benzene;2-methylprop-2-enamide
CID 70531006
ethane;2-hydroxy-2,2-diphenylacetic acid
CID 143307418
1,1-diphenylethylbenzene;prop-2-enamide
CID 174910563
2-(3,4-dimethylphenyl)-2-hydroxy-2-phenylacetamide
CID 139993842

Frequently Asked Questions

What is the IUPAC name of (E)-3-[3-(2-amino-1-hydroxy-2-oxo-1-phenylethyl)-2-ethenylphenyl]-2-methylprop-2-enamide?
The IUPAC name of (E)-3-[3-(2-amino-1-hydroxy-2-oxo-1-phenylethyl)-2-ethenylphenyl]-2-methylprop-2-enamide (CID 171058554) is (E)-3-[3-(2-amino-1-hydroxy-2-oxo-1-phenylethyl)-2-ethenylphenyl]-2-methylprop-2-enamide.
What is the SMILES notation for (E)-3-[3-(2-amino-1-hydroxy-2-oxo-1-phenylethyl)-2-ethenylphenyl]-2-methylprop-2-enamide?
The canonical SMILES for (E)-3-[3-(2-amino-1-hydroxy-2-oxo-1-phenylethyl)-2-ethenylphenyl]-2-methylprop-2-enamide is C=Cc1c(/C=C(\C)C(N)=O)cccc1C(O)(C(N)=O)c1ccccc1.
What is the InChIKey of (E)-3-[3-(2-amino-1-hydroxy-2-oxo-1-phenylethyl)-2-ethenylphenyl]-2-methylprop-2-enamide?
The InChIKey is ZGOKYLNXDBLNTG-OUKQBFOZSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-3-16-14(12-13(2)18(21)23)8-7-11-17(16)20(25,19(22)24)15-9-5-4-6-10-15/h3-12,25H,1H2,2H3,(H2,21,23)(H2,22,24)/b13-12+.
What are the key properties of (E)-3-[3-(2-amino-1-hydroxy-2-oxo-1-phenylethyl)-2-ethenylphenyl]-2-methylprop-2-enamide?
(E)-3-[3-(2-amino-1-hydroxy-2-oxo-1-phenylethyl)-2-ethenylphenyl]-2-methylprop-2-enamide has a molecular weight of 336.39 g/mol, XLogP of 1.94, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3-(2-amino-1-hydroxy-2-oxo-1-phenylethyl)-2-ethenylphenyl]-2-methylprop-2-enamide is sourced from PubChem (CID 171058554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).