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

C25H23NO5 — CID 7701818

IUPAC[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(4-benzoylphenoxy)acetate
SMILESCN(C)C(=O)[C@@H](OC(=O)COc1ccc(C(=O)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C25H23NO5/c1-26(2)25(29)24(20-11-7-4-8-12-20)31-22(27)17-30-21-15-13-19(14-16-21)23(28)18-9-5-3-6-10-18/h3-16,24H,17H2,1-2H3/t24-/m0/s1
InChIKeyGSZHAKYNLLJNSK-DEOSSOPVSA-N
MW417.46 g/mol
LogP3.67
Rot. Bonds8

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

[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(4-benzoylphenoxy)acetate (PubChem CID 7701818) has the molecular formula C25H23NO5 and a molecular weight of 417.46 g/mol. Its IUPAC name is [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(4-benzoylphenoxy)acetate.

Molecular Properties

Compound Name[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(4-benzoylphenoxy)acetate
PubChem CID7701818
Molecular FormulaC25H23NO5
Molecular Weight417.46 g/mol
Exact Mass417.16
IUPAC Name[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(4-benzoylphenoxy)acetate
SMILESCN(C)C(=O)[C@@H](OC(=O)COc1ccc(C(=O)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C25H23NO5/c1-26(2)25(29)24(20-11-7-4-8-12-20)31-22(27)17-30-21-15-13-19(14-16-21)23(28)18-9-5-3-6-10-18/h3-16,24H,17H2,1-2H3/t24-/m0/s1
InChIKeyGSZHAKYNLLJNSK-DEOSSOPVSA-N
XLogP3.67
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.46
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(3-bromophenoxy)acetate
CID 9416481
[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7703332
[2-(dimethylamino)-2-oxo-1-phenylethyl] 2-benzamidoacetate
CID 46824068
(2-oxo-1,2-diphenylethyl) 2-(4-chlorophenoxy)acetate
CID 3488846
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(2-nitrophenoxy)acetate
CID 9412966
(2-oxo-1,2-diphenylethyl) 2-(4-cyanophenoxy)acetate
CID 23990439
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(4-phenylphenyl)acetate
CID 7698022
[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-benzoylphenoxy)acetate
CID 8925530
ethenyl 2-(4-benzoylphenoxy)acetate
CID 154092320
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 4-carbamoylbenzoate
CID 27765842
[2-(dimethylamino)-2-oxo-1-phenylethyl] 4-bromobenzoate
CID 18198752
[4-[[3,5-bis[(4-benzoylphenoxy)methyl]-2,4,6-trimethylphenyl]methoxy]phenyl]-phenylmethanone
CID 101243710

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(4-benzoylphenoxy)acetate?
The IUPAC name of [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(4-benzoylphenoxy)acetate (CID 7701818) is [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(4-benzoylphenoxy)acetate.
What is the SMILES notation for [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(4-benzoylphenoxy)acetate?
The canonical SMILES for [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(4-benzoylphenoxy)acetate is CN(C)C(=O)[C@@H](OC(=O)COc1ccc(C(=O)c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(4-benzoylphenoxy)acetate?
The InChIKey is GSZHAKYNLLJNSK-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H23NO5/c1-26(2)25(29)24(20-11-7-4-8-12-20)31-22(27)17-30-21-15-13-19(14-16-21)23(28)18-9-5-3-6-10-18/h3-16,24H,17H2,1-2H3/t24-/m0/s1.
What are the key properties of [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(4-benzoylphenoxy)acetate?
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(4-benzoylphenoxy)acetate has a molecular weight of 417.46 g/mol, XLogP of 3.67, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(4-benzoylphenoxy)acetate is sourced from PubChem (CID 7701818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).