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

C17H21N3O5 — CID 7703952

IUPAC[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
SMILESCN(C)C(=O)[C@@H](OC(=O)CN1C(=O)NC(C)(C)C1=O)c1ccccc1
InChIInChI=1S/C17H21N3O5/c1-17(2)15(23)20(16(24)18-17)10-12(21)25-13(14(22)19(3)4)11-8-6-5-7-9-11/h5-9,13H,10H2,1-4H3,(H,18,24)/t13-/m0/s1
InChIKeyCZZBDGRBDXSBBL-ZDUSSCGKSA-N
MW347.37 g/mol
LogP0.69
Rot. Bonds5

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

[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate (PubChem CID 7703952) has the molecular formula C17H21N3O5 and a molecular weight of 347.37 g/mol. Its IUPAC name is [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate.

Molecular Properties

Compound Name[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
PubChem CID7703952
Molecular FormulaC17H21N3O5
Molecular Weight347.37 g/mol
Exact Mass347.15
IUPAC Name[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
SMILESCN(C)C(=O)[C@@H](OC(=O)CN1C(=O)NC(C)(C)C1=O)c1ccccc1
InChIInChI=1S/C17H21N3O5/c1-17(2)15(23)20(16(24)18-17)10-12(21)25-13(14(22)19(3)4)11-8-6-5-7-9-11/h5-9,13H,10H2,1-4H3,(H,18,24)/t13-/m0/s1
InChIKeyCZZBDGRBDXSBBL-ZDUSSCGKSA-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'}

Analyze [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7703955
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 7705811
[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7703930
[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetate
CID 95631862
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7715612
[(1R)-2-(diethylamino)-2-oxo-1-phenylethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 8601060
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 7266427
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(1-phenylethyl)acetamide
CID 51139063
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate
CID 8657966
[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 7793393
methyl 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 3164174
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[(4S)-4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 8603095

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The IUPAC name of [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate (CID 7703952) is [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate.
What is the SMILES notation for [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The canonical SMILES for [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate is CN(C)C(=O)[C@@H](OC(=O)CN1C(=O)NC(C)(C)C1=O)c1ccccc1.
What is the InChIKey of [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The InChIKey is CZZBDGRBDXSBBL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21N3O5/c1-17(2)15(23)20(16(24)18-17)10-12(21)25-13(14(22)19(3)4)11-8-6-5-7-9-11/h5-9,13H,10H2,1-4H3,(H,18,24)/t13-/m0/s1.
What are the key properties of [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate?
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(4,4-dimethyl-2,5-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 [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate is sourced from PubChem (CID 7703952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).