(1-oxo-1-phenylpropan-2-yl) 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate

C16H18N2O5 — CID 4877178

IUPAC(1-oxo-1-phenylpropan-2-yl) 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
SMILESCC(OC(=O)CN1C(=O)NC(C)(C)C1=O)C(=O)c1ccccc1
InChIInChI=1S/C16H18N2O5/c1-10(13(20)11-7-5-4-6-8-11)23-12(19)9-18-14(21)16(2,3)17-15(18)22/h4-8,10H,9H2,1-3H3,(H,17,22)
InChIKeyNUFUSNWXMUQUJN-UHFFFAOYSA-N
MW318.33 g/mol
LogP1.13
Rot. Bonds5

About (1-oxo-1-phenylpropan-2-yl) 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate

(1-oxo-1-phenylpropan-2-yl) 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate (PubChem CID 4877178) has the molecular formula C16H18N2O5 and a molecular weight of 318.33 g/mol. Its IUPAC name is (1-oxo-1-phenylpropan-2-yl) 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate.

Molecular Properties

Compound Name(1-oxo-1-phenylpropan-2-yl) 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
PubChem CID4877178
Molecular FormulaC16H18N2O5
Molecular Weight318.33 g/mol
Exact Mass318.12
IUPAC Name(1-oxo-1-phenylpropan-2-yl) 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
SMILESCC(OC(=O)CN1C(=O)NC(C)(C)C1=O)C(=O)c1ccccc1
InChIInChI=1S/C16H18N2O5/c1-10(13(20)11-7-5-4-6-8-11)23-12(19)9-18-14(21)16(2,3)17-15(18)22/h4-8,10H,9H2,1-3H3,(H,17,22)
InChIKeyNUFUSNWXMUQUJN-UHFFFAOYSA-N
XLogP1.13
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 51.13
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 (1-oxo-1-phenylpropan-2-yl) 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The IUPAC name of (1-oxo-1-phenylpropan-2-yl) 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate (CID 4877178) is (1-oxo-1-phenylpropan-2-yl) 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate.
What is the SMILES notation for (1-oxo-1-phenylpropan-2-yl) 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The canonical SMILES for (1-oxo-1-phenylpropan-2-yl) 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate is CC(OC(=O)CN1C(=O)NC(C)(C)C1=O)C(=O)c1ccccc1.
What is the InChIKey of (1-oxo-1-phenylpropan-2-yl) 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The InChIKey is NUFUSNWXMUQUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5/c1-10(13(20)11-7-5-4-6-8-11)23-12(19)9-18-14(21)16(2,3)17-15(18)22/h4-8,10H,9H2,1-3H3,(H,17,22).
What are the key properties of (1-oxo-1-phenylpropan-2-yl) 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate?
(1-oxo-1-phenylpropan-2-yl) 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate has a molecular weight of 318.33 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-oxo-1-phenylpropan-2-yl) 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate is sourced from PubChem (CID 4877178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).