[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(4-phenylphenyl)acetate

C24H23NO3 — CID 7698022

IUPAC[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(4-phenylphenyl)acetate
SMILESCN(C)C(=O)[C@@H](OC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C24H23NO3/c1-25(2)24(27)23(21-11-7-4-8-12-21)28-22(26)17-18-13-15-20(16-14-18)19-9-5-3-6-10-19/h3-16,23H,17H2,1-2H3/t23-/m0/s1
InChIKeyZVBSTQKFRPGERX-QHCPKHFHSA-N
MW373.45 g/mol
LogP4.27
Rot. Bonds6

About [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(4-phenylphenyl)acetate

[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(4-phenylphenyl)acetate (PubChem CID 7698022) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(4-phenylphenyl)acetate.

Molecular Properties

Compound Name[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(4-phenylphenyl)acetate
PubChem CID7698022
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Name[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(4-phenylphenyl)acetate
SMILESCN(C)C(=O)[C@@H](OC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C24H23NO3/c1-25(2)24(27)23(21-11-7-4-8-12-21)28-22(26)17-18-13-15-20(16-14-18)19-9-5-3-6-10-19/h3-16,23H,17H2,1-2H3/t23-/m0/s1
InChIKeyZVBSTQKFRPGERX-QHCPKHFHSA-N
XLogP4.27
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl] 2-(4-phenylphenyl)acetate
CID 2339067
[2-(dimethylamino)-2-oxo-1-phenylethyl] 2-benzamidoacetate
CID 46824068
[2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-phenylacetate
CID 2926303
[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 4-(methoxymethyl)benzoate
CID 7704010
[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 7703284
[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate
CID 8629942
[2-(dimethylamino)-2-oxo-1-phenylethyl] 3-[4-(methylsulfamoyl)phenyl]propanoate
CID 46825923
1-(dimethylamino)ethyl 2-phenylacetate
CID 88661320
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
CID 7703013
N-benzhydryl-N-methyl-2-(4-phenylphenyl)acetamide
CID 2103734
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(4-benzoylphenoxy)acetate
CID 7701818
[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-(4-acetamidophenyl)acetate
CID 8610004

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(4-phenylphenyl)acetate?
The IUPAC name of [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(4-phenylphenyl)acetate (CID 7698022) is [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(4-phenylphenyl)acetate.
What is the SMILES notation for [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(4-phenylphenyl)acetate?
The canonical SMILES for [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(4-phenylphenyl)acetate is CN(C)C(=O)[C@@H](OC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(4-phenylphenyl)acetate?
The InChIKey is ZVBSTQKFRPGERX-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H23NO3/c1-25(2)24(27)23(21-11-7-4-8-12-21)28-22(26)17-18-13-15-20(16-14-18)19-9-5-3-6-10-19/h3-16,23H,17H2,1-2H3/t23-/m0/s1.
What are the key properties of [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(4-phenylphenyl)acetate?
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(4-phenylphenyl)acetate has a molecular weight of 373.45 g/mol, XLogP of 4.27, 6 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] 2-(4-phenylphenyl)acetate is sourced from PubChem (CID 7698022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).