[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetate

C17H21N3O5 — CID 95631862

IUPAC[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetate
SMILESCN(C)C(=O)[C@H](OC(=O)CN1C(=O)NC(=O)C1(C)C)c1ccccc1
InChIInChI=1S/C17H21N3O5/c1-17(2)15(23)18-16(24)20(17)10-12(21)25-13(14(22)19(3)4)11-8-6-5-7-9-11/h5-9,13H,10H2,1-4H3,(H,18,23,24)/t13-/m1/s1
InChIKeyDFZGZIOROBIHGV-CYBMUJFWSA-N
MW347.37 g/mol
LogP0.69
Rot. Bonds5

About [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetate

[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetate (PubChem CID 95631862) has the molecular formula C17H21N3O5 and a molecular weight of 347.37 g/mol. Its IUPAC name is [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetate.

Molecular Properties

Compound Name[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetate
PubChem CID95631862
Molecular FormulaC17H21N3O5
Molecular Weight347.37 g/mol
Exact Mass347.15
IUPAC Name[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetate
SMILESCN(C)C(=O)[C@H](OC(=O)CN1C(=O)NC(=O)C1(C)C)c1ccccc1
InChIInChI=1S/C17H21N3O5/c1-17(2)15(23)18-16(24)20(17)10-12(21)25-13(14(22)19(3)4)11-8-6-5-7-9-11/h5-9,13H,10H2,1-4H3,(H,18,23,24)/t13-/m1/s1
InChIKeyDFZGZIOROBIHGV-CYBMUJFWSA-N
XLogP0.69
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetate?
The IUPAC name of [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetate (CID 95631862) is [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetate.
What is the SMILES notation for [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetate?
The canonical SMILES for [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetate is CN(C)C(=O)[C@H](OC(=O)CN1C(=O)NC(=O)C1(C)C)c1ccccc1.
What is the InChIKey of [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetate?
The InChIKey is DFZGZIOROBIHGV-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21N3O5/c1-17(2)15(23)18-16(24)20(17)10-12(21)25-13(14(22)19(3)4)11-8-6-5-7-9-11/h5-9,13H,10H2,1-4H3,(H,18,23,24)/t13-/m1/s1.
What are the key properties of [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetate?
[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetate has a molecular weight of 347.37 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetate is sourced from PubChem (CID 95631862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).