tert-butyl 2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate

C14H18N2O5 — CID 51259018

IUPACtert-butyl 2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
SMILESCC(C)(C)OC(=O)CN1C(=O)NC(C)(c2ccco2)C1=O
InChIInChI=1S/C14H18N2O5/c1-13(2,3)21-10(17)8-16-11(18)14(4,15-12(16)19)9-6-5-7-20-9/h5-7H,8H2,1-4H3,(H,15,19)
InChIKeyYYFOHAIVEHVVDC-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.39
Rot. Bonds3

About tert-butyl 2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate

tert-butyl 2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate (PubChem CID 51259018) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is tert-butyl 2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
PubChem CID51259018
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Nametert-butyl 2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
SMILESCC(C)(C)OC(=O)CN1C(=O)NC(C)(c2ccco2)C1=O
InChIInChI=1S/C14H18N2O5/c1-13(2,3)21-10(17)8-16-11(18)14(4,15-12(16)19)9-6-5-7-20-9/h5-7H,8H2,1-4H3,(H,15,19)
InChIKeyYYFOHAIVEHVVDC-UHFFFAOYSA-N
XLogP1.39
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-hydroxyethyl)acetamide
CID 43509786
tert-butyl 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 42898029
5-(furan-2-yl)-5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 51249918
5-(furan-2-yl)-5-methyl-3-[2-(2-methyl-3-pyridinyl)-2-oxoethyl]imidazolidine-2,4-dione
CID 122149444
3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 51259022
methyl 4-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-methylbut-2-enoate
CID 77074921
(5-methyl-2-propan-2-ylcyclohexyl) 2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 51317464
(5R)-3-benzyl-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 51462112
N-(4-ethoxyphenyl)-2-[(4S)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 92785323
5-(furan-2-yl)-5-methyl-3-[2-[(propan-2-ylamino)methyl]prop-2-enyl]imidazolidine-2,4-dione
CID 103071810
(5R)-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 27110056
5-(furan-2-yl)-5-methyl-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4-dione
CID 24520101

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate?
The IUPAC name of tert-butyl 2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate (CID 51259018) is tert-butyl 2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate.
What is the SMILES notation for tert-butyl 2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate?
The canonical SMILES for tert-butyl 2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate is CC(C)(C)OC(=O)CN1C(=O)NC(C)(c2ccco2)C1=O.
What is the InChIKey of tert-butyl 2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate?
The InChIKey is YYFOHAIVEHVVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-13(2,3)21-10(17)8-16-11(18)14(4,15-12(16)19)9-6-5-7-20-9/h5-7H,8H2,1-4H3,(H,15,19).
What are the key properties of tert-butyl 2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate?
tert-butyl 2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate has a molecular weight of 294.31 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate is sourced from PubChem (CID 51259018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).