[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] (E)-3-phenylprop-2-enoate

C19H19NO3 — CID 9415418

IUPAC[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] (E)-3-phenylprop-2-enoate
SMILESCN(C)C(=O)[C@@H](OC(=O)/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C19H19NO3/c1-20(2)19(22)18(16-11-7-4-8-12-16)23-17(21)14-13-15-9-5-3-6-10-15/h3-14,18H,1-2H3/b14-13+/t18-/m0/s1
InChIKeyGMZNAFJXCVBYGE-JKGDOXCYSA-N
MW309.37 g/mol
LogP3.07
Rot. Bonds5

About [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] (E)-3-phenylprop-2-enoate

[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] (E)-3-phenylprop-2-enoate (PubChem CID 9415418) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] (E)-3-phenylprop-2-enoate.

Molecular Properties

Compound Name[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] (E)-3-phenylprop-2-enoate
PubChem CID9415418
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] (E)-3-phenylprop-2-enoate
SMILESCN(C)C(=O)[C@@H](OC(=O)/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C19H19NO3/c1-20(2)19(22)18(16-11-7-4-8-12-16)23-17(21)14-13-15-9-5-3-6-10-15/h3-14,18H,1-2H3/b14-13+/t18-/m0/s1
InChIKeyGMZNAFJXCVBYGE-JKGDOXCYSA-N
XLogP3.07
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] (E)-3-phenylprop-2-enoate?
The IUPAC name of [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] (E)-3-phenylprop-2-enoate (CID 9415418) is [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] (E)-3-phenylprop-2-enoate.
What is the SMILES notation for [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] (E)-3-phenylprop-2-enoate?
The canonical SMILES for [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] (E)-3-phenylprop-2-enoate is CN(C)C(=O)[C@@H](OC(=O)/C=C/c1ccccc1)c1ccccc1.
What is the InChIKey of [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] (E)-3-phenylprop-2-enoate?
The InChIKey is GMZNAFJXCVBYGE-JKGDOXCYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-20(2)19(22)18(16-11-7-4-8-12-16)23-17(21)14-13-15-9-5-3-6-10-15/h3-14,18H,1-2H3/b14-13+/t18-/m0/s1.
What are the key properties of [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] (E)-3-phenylprop-2-enoate?
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] (E)-3-phenylprop-2-enoate has a molecular weight of 309.37 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] (E)-3-phenylprop-2-enoate is sourced from PubChem (CID 9415418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).