ethyl (5R,7R)-1,3-dibenzyl-2,4-dioxo-1,3-diazaspiro[4.4]non-8-ene-7-carboxylate

C24H24N2O4 — CID 11304252

IUPACethyl (5R,7R)-1,3-dibenzyl-2,4-dioxo-1,3-diazaspiro[4.4]non-8-ene-7-carboxylate
SMILESCCOC(=O)[C@H]1C=C[C@]2(C1)C(=O)N(Cc1ccccc1)C(=O)N2Cc1ccccc1
InChIInChI=1S/C24H24N2O4/c1-2-30-21(27)20-13-14-24(15-20)22(28)25(16-18-9-5-3-6-10-18)23(29)26(24)17-19-11-7-4-8-12-19/h3-14,20H,2,15-17H2,1H3/t20-,24-/m0/s1
InChIKeyUWYQONCTGNXOAX-RDPSFJRHSA-N
MW404.47 g/mol
LogP3.53
Rot. Bonds6

About ethyl (5R,7R)-1,3-dibenzyl-2,4-dioxo-1,3-diazaspiro[4.4]non-8-ene-7-carboxylate

ethyl (5R,7R)-1,3-dibenzyl-2,4-dioxo-1,3-diazaspiro[4.4]non-8-ene-7-carboxylate (PubChem CID 11304252) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is ethyl (5R,7R)-1,3-dibenzyl-2,4-dioxo-1,3-diazaspiro[4.4]non-8-ene-7-carboxylate.

Molecular Properties

Compound Nameethyl (5R,7R)-1,3-dibenzyl-2,4-dioxo-1,3-diazaspiro[4.4]non-8-ene-7-carboxylate
PubChem CID11304252
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Nameethyl (5R,7R)-1,3-dibenzyl-2,4-dioxo-1,3-diazaspiro[4.4]non-8-ene-7-carboxylate
SMILESCCOC(=O)[C@H]1C=C[C@]2(C1)C(=O)N(Cc1ccccc1)C(=O)N2Cc1ccccc1
InChIInChI=1S/C24H24N2O4/c1-2-30-21(27)20-13-14-24(15-20)22(28)25(16-18-9-5-3-6-10-18)23(29)26(24)17-19-11-7-4-8-12-19/h3-14,20H,2,15-17H2,1H3/t20-,24-/m0/s1
InChIKeyUWYQONCTGNXOAX-RDPSFJRHSA-N
XLogP3.53
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 ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (5R,7R)-1,3-dibenzyl-2,4-dioxo-1,3-diazaspiro[4.4]non-8-ene-7-carboxylate?
The IUPAC name of ethyl (5R,7R)-1,3-dibenzyl-2,4-dioxo-1,3-diazaspiro[4.4]non-8-ene-7-carboxylate (CID 11304252) is ethyl (5R,7R)-1,3-dibenzyl-2,4-dioxo-1,3-diazaspiro[4.4]non-8-ene-7-carboxylate.
What is the SMILES notation for ethyl (5R,7R)-1,3-dibenzyl-2,4-dioxo-1,3-diazaspiro[4.4]non-8-ene-7-carboxylate?
The canonical SMILES for ethyl (5R,7R)-1,3-dibenzyl-2,4-dioxo-1,3-diazaspiro[4.4]non-8-ene-7-carboxylate is CCOC(=O)[C@H]1C=C[C@]2(C1)C(=O)N(Cc1ccccc1)C(=O)N2Cc1ccccc1.
What is the InChIKey of ethyl (5R,7R)-1,3-dibenzyl-2,4-dioxo-1,3-diazaspiro[4.4]non-8-ene-7-carboxylate?
The InChIKey is UWYQONCTGNXOAX-RDPSFJRHSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-2-30-21(27)20-13-14-24(15-20)22(28)25(16-18-9-5-3-6-10-18)23(29)26(24)17-19-11-7-4-8-12-19/h3-14,20H,2,15-17H2,1H3/t20-,24-/m0/s1.
What are the key properties of ethyl (5R,7R)-1,3-dibenzyl-2,4-dioxo-1,3-diazaspiro[4.4]non-8-ene-7-carboxylate?
ethyl (5R,7R)-1,3-dibenzyl-2,4-dioxo-1,3-diazaspiro[4.4]non-8-ene-7-carboxylate has a molecular weight of 404.47 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (5R,7R)-1,3-dibenzyl-2,4-dioxo-1,3-diazaspiro[4.4]non-8-ene-7-carboxylate is sourced from PubChem (CID 11304252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).