ethyl 2-[2,4,5-trioxo-3-(2-phenylethyl)imidazolidin-1-yl]acetate

C15H16N2O5 — CID 10780802

IUPACethyl 2-[2,4,5-trioxo-3-(2-phenylethyl)imidazolidin-1-yl]acetate
SMILESCCOC(=O)CN1C(=O)C(=O)N(CCc2ccccc2)C1=O
InChIInChI=1S/C15H16N2O5/c1-2-22-12(18)10-17-14(20)13(19)16(15(17)21)9-8-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3
InChIKeyNFDWXDVGORJTIB-UHFFFAOYSA-N
MW304.30 g/mol
LogP0.58
Rot. Bonds6

About ethyl 2-[2,4,5-trioxo-3-(2-phenylethyl)imidazolidin-1-yl]acetate

ethyl 2-[2,4,5-trioxo-3-(2-phenylethyl)imidazolidin-1-yl]acetate (PubChem CID 10780802) has the molecular formula C15H16N2O5 and a molecular weight of 304.30 g/mol. Its IUPAC name is ethyl 2-[2,4,5-trioxo-3-(2-phenylethyl)imidazolidin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2,4,5-trioxo-3-(2-phenylethyl)imidazolidin-1-yl]acetate
PubChem CID10780802
Molecular FormulaC15H16N2O5
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC Nameethyl 2-[2,4,5-trioxo-3-(2-phenylethyl)imidazolidin-1-yl]acetate
SMILESCCOC(=O)CN1C(=O)C(=O)N(CCc2ccccc2)C1=O
InChIInChI=1S/C15H16N2O5/c1-2-22-12(18)10-17-14(20)13(19)16(15(17)21)9-8-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3
InChIKeyNFDWXDVGORJTIB-UHFFFAOYSA-N
XLogP0.58
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2,4,5-trioxo-3-(2-phenylethyl)imidazolidin-1-yl]acetate?
The IUPAC name of ethyl 2-[2,4,5-trioxo-3-(2-phenylethyl)imidazolidin-1-yl]acetate (CID 10780802) is ethyl 2-[2,4,5-trioxo-3-(2-phenylethyl)imidazolidin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[2,4,5-trioxo-3-(2-phenylethyl)imidazolidin-1-yl]acetate?
The canonical SMILES for ethyl 2-[2,4,5-trioxo-3-(2-phenylethyl)imidazolidin-1-yl]acetate is CCOC(=O)CN1C(=O)C(=O)N(CCc2ccccc2)C1=O.
What is the InChIKey of ethyl 2-[2,4,5-trioxo-3-(2-phenylethyl)imidazolidin-1-yl]acetate?
The InChIKey is NFDWXDVGORJTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5/c1-2-22-12(18)10-17-14(20)13(19)16(15(17)21)9-8-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3.
What are the key properties of ethyl 2-[2,4,5-trioxo-3-(2-phenylethyl)imidazolidin-1-yl]acetate?
ethyl 2-[2,4,5-trioxo-3-(2-phenylethyl)imidazolidin-1-yl]acetate has a molecular weight of 304.30 g/mol, XLogP of 0.58, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2,4,5-trioxo-3-(2-phenylethyl)imidazolidin-1-yl]acetate is sourced from PubChem (CID 10780802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).