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

C24H24N2O4 — CID 11165607

IUPACethyl 1,3-dibenzyl-2,4-dioxo-1,3-diazaspiro[4.4]non-7-ene-8-carboxylate
SMILESCCOC(=O)C1=CCC2(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/h3-13H,2,14-17H2,1H3
InChIKeyDAJHSHYJGVZITM-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.67
Rot. Bonds6

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

ethyl 1,3-dibenzyl-2,4-dioxo-1,3-diazaspiro[4.4]non-7-ene-8-carboxylate (PubChem CID 11165607) 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-7-ene-8-carboxylate.

Molecular Properties

Compound Nameethyl 1,3-dibenzyl-2,4-dioxo-1,3-diazaspiro[4.4]non-7-ene-8-carboxylate
PubChem CID11165607
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Nameethyl 1,3-dibenzyl-2,4-dioxo-1,3-diazaspiro[4.4]non-7-ene-8-carboxylate
SMILESCCOC(=O)C1=CCC2(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/h3-13H,2,14-17H2,1H3
InChIKeyDAJHSHYJGVZITM-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'}

Analyze ethyl 1,3-dibenzyl-2,4-dioxo-1,3-diazaspiro[4.4]non-7-ene-8-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-benzyl-1,3-dioxo-6,6a-dihydro-3aH-cyclopenta[c]pyrrole-4-carboxylate
CID 51359082
Ethyl 1-benzyl-5-oxo-2,3,6,7-tetrahydroimidazo[1,2-a]pyridine-8-carboxylate
CID 14119996
Ethyl 1-benzyl-7-methyl-5-oxo-2,3,6,7-tetrahydroimidazo[1,2-a]pyridine-8-carboxylate
CID 14119997
ethyl (5R,7R)-1,3-dibenzyl-2,4-dioxo-1,3-diazaspiro[4.4]non-8-ene-7-carboxylate
CID 11304252
ethyl (5R,7S)-1,3-dibenzyl-2,4-dioxo-1,3-diazaspiro[4.4]non-8-ene-7-carboxylate
CID 11384154
3-[(2S,4S)-3-benzoyl-4-benzyl-2-tert-butyl-1-methyl-5-oxoimidazolidin-4-yl]propanoic acid
CID 22215711
Ethyl 1,3-dibenzyl-2,4-dioxo-1,3-diazaspiro[4.4]non-8-ene-9-carboxylate
CID 101215505
3-[(2S,4R)-3-benzoyl-4-benzyl-2-tert-butyl-1-methyl-5-oxoimidazolidin-4-yl]propanoic acid
CID 134916829
propan-2-yl (5R,9S)-1,3-dibenzyl-9-(cyclopentylmethyl)-2,4-dioxo-1,3-diazaspiro[4.4]non-7-ene-7-carboxylate
CID 139116484
ethyl (3aS,6aS)-2-benzyl-1,3-dioxo-6,6a-dihydro-3aH-cyclopenta[c]pyrrole-4-carboxylate
CID 139259913
propan-2-yl (5R,9S)-1,3-dibenzyl-2,4-dioxo-9-propyl-1,3-diazaspiro[4.4]non-7-ene-7-carboxylate
CID 164679626
4-Imidazolidinepropanoic acid, 3-benzoyl-2-(1,1-dimethylethyl)-1-methyl-5-oxo-4-(phenylmethyl)-, (2S-trans)-
CID 571220

Frequently Asked Questions

What is the IUPAC name of ethyl 1,3-dibenzyl-2,4-dioxo-1,3-diazaspiro[4.4]non-7-ene-8-carboxylate?
The IUPAC name of ethyl 1,3-dibenzyl-2,4-dioxo-1,3-diazaspiro[4.4]non-7-ene-8-carboxylate (CID 11165607) is ethyl 1,3-dibenzyl-2,4-dioxo-1,3-diazaspiro[4.4]non-7-ene-8-carboxylate.
What is the SMILES notation for ethyl 1,3-dibenzyl-2,4-dioxo-1,3-diazaspiro[4.4]non-7-ene-8-carboxylate?
The canonical SMILES for ethyl 1,3-dibenzyl-2,4-dioxo-1,3-diazaspiro[4.4]non-7-ene-8-carboxylate is CCOC(=O)C1=CCC2(C1)C(=O)N(Cc1ccccc1)C(=O)N2Cc1ccccc1.
What is the InChIKey of ethyl 1,3-dibenzyl-2,4-dioxo-1,3-diazaspiro[4.4]non-7-ene-8-carboxylate?
The InChIKey is DAJHSHYJGVZITM-UHFFFAOYSA-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/h3-13H,2,14-17H2,1H3.
What are the key properties of ethyl 1,3-dibenzyl-2,4-dioxo-1,3-diazaspiro[4.4]non-7-ene-8-carboxylate?
ethyl 1,3-dibenzyl-2,4-dioxo-1,3-diazaspiro[4.4]non-7-ene-8-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-7-ene-8-carboxylate is sourced from PubChem (CID 11165607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).