ethyl 2-oxo-4-phenylimidazolidine-4-carboxylate

C12H14N2O3 — CID 102201149

IUPACethyl 2-oxo-4-phenylimidazolidine-4-carboxylate
SMILESCCOC(=O)C1(c2ccccc2)CNC(=O)N1
InChIInChI=1S/C12H14N2O3/c1-2-17-10(15)12(8-13-11(16)14-12)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H2,13,14,16)
InChIKeyXVHQNLLVQVJPGI-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.76
Rot. Bonds3

About ethyl 2-oxo-4-phenylimidazolidine-4-carboxylate

ethyl 2-oxo-4-phenylimidazolidine-4-carboxylate (PubChem CID 102201149) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is ethyl 2-oxo-4-phenylimidazolidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-oxo-4-phenylimidazolidine-4-carboxylate
PubChem CID102201149
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Nameethyl 2-oxo-4-phenylimidazolidine-4-carboxylate
SMILESCCOC(=O)C1(c2ccccc2)CNC(=O)N1
InChIInChI=1S/C12H14N2O3/c1-2-17-10(15)12(8-13-11(16)14-12)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H2,13,14,16)
InChIKeyXVHQNLLVQVJPGI-UHFFFAOYSA-N
XLogP0.76
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Camiverine
CID 40984
ethyl N-(cyclohexylcarbamoyl)-3,3,3-trifluoro-2-phenylalaninate
CID 2968364
1-Benzyl-3-[2-(1-ethoxycarbonyl-nonylamino)-propionyl]-2-oxo-imidazolidine-4-carboxylic acid
CID 13477728
Ethyl 2-acetamido-2-phenylacetate
CID 10149122
1-Imidazolidineacetic acid, 4,4-diphenyl-5-oxo-, ethyl ester
CID 3076359
ethyl 3,3,3-trifluoro-2-phenyl-N-(piperidin-1-ylcarbonyl)alaninate
CID 3244284
ethyl (2S)-2-acetamido-2-phenylacetate
CID 14420202
5-(Isopropoxymethyl)-5-phenylhydantoin
CID 458592
Ethyl 2-formamido-2-phenylacetate
CID 10285877
5-(Methoxymethyl)-1,3-dimethyl-5-phenylimidazolidine-2,4-dione
CID 345679
5-(Ethoxymethyl)-1,3-dimethyl-5-phenylimidazolidine-2,4-dione
CID 345691
1,3-Dimethyl-5-phenyl-5-(propan-2-yloxymethyl)imidazolidine-2,4-dione
CID 345699

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-4-phenylimidazolidine-4-carboxylate?
The IUPAC name of ethyl 2-oxo-4-phenylimidazolidine-4-carboxylate (CID 102201149) is ethyl 2-oxo-4-phenylimidazolidine-4-carboxylate.
What is the SMILES notation for ethyl 2-oxo-4-phenylimidazolidine-4-carboxylate?
The canonical SMILES for ethyl 2-oxo-4-phenylimidazolidine-4-carboxylate is CCOC(=O)C1(c2ccccc2)CNC(=O)N1.
What is the InChIKey of ethyl 2-oxo-4-phenylimidazolidine-4-carboxylate?
The InChIKey is XVHQNLLVQVJPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-2-17-10(15)12(8-13-11(16)14-12)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H2,13,14,16).
What are the key properties of ethyl 2-oxo-4-phenylimidazolidine-4-carboxylate?
ethyl 2-oxo-4-phenylimidazolidine-4-carboxylate has a molecular weight of 234.25 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-4-phenylimidazolidine-4-carboxylate is sourced from PubChem (CID 102201149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).