ethyl 2-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]furan-3-carboxylate

C18H18N2O5 — CID 40810957

IUPACethyl 2-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]furan-3-carboxylate
SMILESCCOC(=O)c1ccoc1CN1C(=O)N[C@](C)(c2ccccc2)C1=O
InChIInChI=1S/C18H18N2O5/c1-3-24-15(21)13-9-10-25-14(13)11-20-16(22)18(2,19-17(20)23)12-7-5-4-6-8-12/h4-10H,3,11H2,1-2H3,(H,19,23)/t18-/m1/s1
InChIKeyGKAIZKAPAPBVGP-GOSISDBHSA-N
MW342.35 g/mol
LogP2.42
Rot. Bonds5

About ethyl 2-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]furan-3-carboxylate

ethyl 2-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]furan-3-carboxylate (PubChem CID 40810957) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is ethyl 2-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]furan-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]furan-3-carboxylate
PubChem CID40810957
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Nameethyl 2-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]furan-3-carboxylate
SMILESCCOC(=O)c1ccoc1CN1C(=O)N[C@](C)(c2ccccc2)C1=O
InChIInChI=1S/C18H18N2O5/c1-3-24-15(21)13-9-10-25-14(13)11-20-16(22)18(2,19-17(20)23)12-7-5-4-6-8-12/h4-10H,3,11H2,1-2H3,(H,19,23)/t18-/m1/s1
InChIKeyGKAIZKAPAPBVGP-GOSISDBHSA-N
XLogP2.42
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]furan-3-carboxylate?
The IUPAC name of ethyl 2-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]furan-3-carboxylate (CID 40810957) is ethyl 2-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]furan-3-carboxylate.
What is the SMILES notation for ethyl 2-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]furan-3-carboxylate?
The canonical SMILES for ethyl 2-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]furan-3-carboxylate is CCOC(=O)c1ccoc1CN1C(=O)N[C@](C)(c2ccccc2)C1=O.
What is the InChIKey of ethyl 2-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]furan-3-carboxylate?
The InChIKey is GKAIZKAPAPBVGP-GOSISDBHSA-N. The full InChI is InChI=1S/C18H18N2O5/c1-3-24-15(21)13-9-10-25-14(13)11-20-16(22)18(2,19-17(20)23)12-7-5-4-6-8-12/h4-10H,3,11H2,1-2H3,(H,19,23)/t18-/m1/s1.
What are the key properties of ethyl 2-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]furan-3-carboxylate?
ethyl 2-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]furan-3-carboxylate has a molecular weight of 342.35 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]furan-3-carboxylate is sourced from PubChem (CID 40810957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).