butyl 2-(2,5-dioxo-4-phenylimidazolidin-1-yl)acetate

C15H18N2O4 — CID 84572142

IUPACbutyl 2-(2,5-dioxo-4-phenylimidazolidin-1-yl)acetate
SMILESCCCCOC(=O)CN1C(=O)NC(c2ccccc2)C1=O
InChIInChI=1S/C15H18N2O4/c1-2-3-9-21-12(18)10-17-14(19)13(16-15(17)20)11-7-5-4-6-8-11/h4-8,13H,2-3,9-10H2,1H3,(H,16,20)
InChIKeyCEJXWNGTZLKPGD-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.62
Rot. Bonds6

About butyl 2-(2,5-dioxo-4-phenylimidazolidin-1-yl)acetate

butyl 2-(2,5-dioxo-4-phenylimidazolidin-1-yl)acetate (PubChem CID 84572142) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is butyl 2-(2,5-dioxo-4-phenylimidazolidin-1-yl)acetate.

Molecular Properties

Compound Namebutyl 2-(2,5-dioxo-4-phenylimidazolidin-1-yl)acetate
PubChem CID84572142
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Namebutyl 2-(2,5-dioxo-4-phenylimidazolidin-1-yl)acetate
SMILESCCCCOC(=O)CN1C(=O)NC(c2ccccc2)C1=O
InChIInChI=1S/C15H18N2O4/c1-2-3-9-21-12(18)10-17-14(19)13(16-15(17)20)11-7-5-4-6-8-11/h4-8,13H,2-3,9-10H2,1H3,(H,16,20)
InChIKeyCEJXWNGTZLKPGD-UHFFFAOYSA-N
XLogP1.62
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-[(4R)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 125482450
2-(2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 84571944
2-(2,5-dioxo-4-phenylimidazolidin-1-yl)acetohydrazide
CID 84571871
ethyl 2-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 75366190
butyl 2-(2,5-dioxo-4-propylimidazolidin-1-yl)acetate
CID 54942288
butyl 2-(3-phenylpyrrolidin-1-yl)acetate
CID 51128738
3-ethyl-5-phenylimidazolidine-2,4-dione
CID 3292
3-ethyl-5-phenylimidazolidine-2,4-dione;hydrochloride
CID 140541909
3-(3-phenoxypropyl)-5-phenylimidazolidine-2,4-dione
CID 84571229
butyl (4S)-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7093845
pentyl 2-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)acetate
CID 3114107
ethyl (6S)-3-butyl-4-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate
CID 92970738

Frequently Asked Questions

What is the IUPAC name of butyl 2-(2,5-dioxo-4-phenylimidazolidin-1-yl)acetate?
The IUPAC name of butyl 2-(2,5-dioxo-4-phenylimidazolidin-1-yl)acetate (CID 84572142) is butyl 2-(2,5-dioxo-4-phenylimidazolidin-1-yl)acetate.
What is the SMILES notation for butyl 2-(2,5-dioxo-4-phenylimidazolidin-1-yl)acetate?
The canonical SMILES for butyl 2-(2,5-dioxo-4-phenylimidazolidin-1-yl)acetate is CCCCOC(=O)CN1C(=O)NC(c2ccccc2)C1=O.
What is the InChIKey of butyl 2-(2,5-dioxo-4-phenylimidazolidin-1-yl)acetate?
The InChIKey is CEJXWNGTZLKPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-2-3-9-21-12(18)10-17-14(19)13(16-15(17)20)11-7-5-4-6-8-11/h4-8,13H,2-3,9-10H2,1H3,(H,16,20).
What are the key properties of butyl 2-(2,5-dioxo-4-phenylimidazolidin-1-yl)acetate?
butyl 2-(2,5-dioxo-4-phenylimidazolidin-1-yl)acetate has a molecular weight of 290.32 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-(2,5-dioxo-4-phenylimidazolidin-1-yl)acetate is sourced from PubChem (CID 84572142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).