methyl 3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]benzoate

C15H16N2O5 — CID 119052968

IUPACmethyl 3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]benzoate
SMILESCOC(=O)c1cccc(C(=O)CN2C(=O)NC(C)(C)C2=O)c1
InChIInChI=1S/C15H16N2O5/c1-15(2)13(20)17(14(21)16-15)8-11(18)9-5-4-6-10(7-9)12(19)22-3/h4-7H,8H2,1-3H3,(H,16,21)
InChIKeyJHFUBFZUEPCNOL-UHFFFAOYSA-N
MW304.30 g/mol
LogP0.99
Rot. Bonds4

About methyl 3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]benzoate

methyl 3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]benzoate (PubChem CID 119052968) has the molecular formula C15H16N2O5 and a molecular weight of 304.30 g/mol. Its IUPAC name is methyl 3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]benzoate
PubChem CID119052968
Molecular FormulaC15H16N2O5
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC Namemethyl 3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]benzoate
SMILESCOC(=O)c1cccc(C(=O)CN2C(=O)NC(C)(C)C2=O)c1
InChIInChI=1S/C15H16N2O5/c1-15(2)13(20)17(14(21)16-15)8-11(18)9-5-4-6-10(7-9)12(19)22-3/h4-7H,8H2,1-3H3,(H,16,21)
InChIKeyJHFUBFZUEPCNOL-UHFFFAOYSA-N
XLogP0.99
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]benzoate 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

methyl 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 3164174
N-(3-acetylphenyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 2547789
5-(4-fluorophenyl)-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 17477743
5,5-dimethyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]imidazolidine-2,4-dione
CID 60623130
5,5-dimethyl-3-[2-(4-nitrophenyl)-2-oxoethyl]imidazolidine-2,4-dione
CID 60623134
(5R)-3-[2-(3-bromophenyl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 7242493
methyl 3-[[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]benzoate
CID 16557283
CID 70265363
CID 70265363
CID 159558349
CID 159558349
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 2078054
3-[2-(3-chlorophenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 17457674
3-[2-(3-chlorophenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 17413736

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]benzoate?
The IUPAC name of methyl 3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]benzoate (CID 119052968) is methyl 3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]benzoate.
What is the SMILES notation for methyl 3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]benzoate?
The canonical SMILES for methyl 3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]benzoate is COC(=O)c1cccc(C(=O)CN2C(=O)NC(C)(C)C2=O)c1.
What is the InChIKey of methyl 3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]benzoate?
The InChIKey is JHFUBFZUEPCNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5/c1-15(2)13(20)17(14(21)16-15)8-11(18)9-5-4-6-10(7-9)12(19)22-3/h4-7H,8H2,1-3H3,(H,16,21).
What are the key properties of methyl 3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]benzoate?
methyl 3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]benzoate has a molecular weight of 304.30 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]benzoate is sourced from PubChem (CID 119052968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).