ethyl 1,3-dibenzyl-2,4-dioxo-1,3-diazaspiro[4.4]non-8-ene-9-carboxylate

C24H24N2O4 — CID 101215505

IUPACethyl 1,3-dibenzyl-2,4-dioxo-1,3-diazaspiro[4.4]non-8-ene-9-carboxylate
SMILESCCOC(=O)C1=CCCC12C(=O)N(Cc1ccccc1)C(=O)N2Cc1ccccc1
InChIInChI=1S/C24H24N2O4/c1-2-30-21(27)20-14-9-15-24(20)22(28)25(16-18-10-5-3-6-11-18)23(29)26(24)17-19-12-7-4-8-13-19/h3-8,10-14H,2,9,15-17H2,1H3
InChIKeyLPURMOBMFVVTSG-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.67
Rot. Bonds6

About ethyl 1,3-dibenzyl-2,4-dioxo-1,3-diazaspiro[4.4]non-8-ene-9-carboxylate

ethyl 1,3-dibenzyl-2,4-dioxo-1,3-diazaspiro[4.4]non-8-ene-9-carboxylate (PubChem CID 101215505) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is ethyl 1,3-dibenzyl-2,4-dioxo-1,3-diazaspiro[4.4]non-8-ene-9-carboxylate.

Molecular Properties

Compound Nameethyl 1,3-dibenzyl-2,4-dioxo-1,3-diazaspiro[4.4]non-8-ene-9-carboxylate
PubChem CID101215505
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Nameethyl 1,3-dibenzyl-2,4-dioxo-1,3-diazaspiro[4.4]non-8-ene-9-carboxylate
SMILESCCOC(=O)C1=CCCC12C(=O)N(Cc1ccccc1)C(=O)N2Cc1ccccc1
InChIInChI=1S/C24H24N2O4/c1-2-30-21(27)20-14-9-15-24(20)22(28)25(16-18-10-5-3-6-11-18)23(29)26(24)17-19-12-7-4-8-13-19/h3-8,10-14H,2,9,15-17H2,1H3
InChIKeyLPURMOBMFVVTSG-UHFFFAOYSA-N
XLogP3.67
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 1,3-dibenzyl-2,4-dioxo-1,3-diazaspiro[4.4]non-8-ene-9-carboxylate?
The IUPAC name of ethyl 1,3-dibenzyl-2,4-dioxo-1,3-diazaspiro[4.4]non-8-ene-9-carboxylate (CID 101215505) is ethyl 1,3-dibenzyl-2,4-dioxo-1,3-diazaspiro[4.4]non-8-ene-9-carboxylate.
What is the SMILES notation for ethyl 1,3-dibenzyl-2,4-dioxo-1,3-diazaspiro[4.4]non-8-ene-9-carboxylate?
The canonical SMILES for ethyl 1,3-dibenzyl-2,4-dioxo-1,3-diazaspiro[4.4]non-8-ene-9-carboxylate is CCOC(=O)C1=CCCC12C(=O)N(Cc1ccccc1)C(=O)N2Cc1ccccc1.
What is the InChIKey of ethyl 1,3-dibenzyl-2,4-dioxo-1,3-diazaspiro[4.4]non-8-ene-9-carboxylate?
The InChIKey is LPURMOBMFVVTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-2-30-21(27)20-14-9-15-24(20)22(28)25(16-18-10-5-3-6-11-18)23(29)26(24)17-19-12-7-4-8-13-19/h3-8,10-14H,2,9,15-17H2,1H3.
What are the key properties of ethyl 1,3-dibenzyl-2,4-dioxo-1,3-diazaspiro[4.4]non-8-ene-9-carboxylate?
ethyl 1,3-dibenzyl-2,4-dioxo-1,3-diazaspiro[4.4]non-8-ene-9-carboxylate has a molecular weight of 404.47 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,3-dibenzyl-2,4-dioxo-1,3-diazaspiro[4.4]non-8-ene-9-carboxylate is sourced from PubChem (CID 101215505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).