ethyl 2-[[3-benzyl-5-(3-ethoxy-3-oxopropyl)-2,4-dioxo-5-prop-2-enylimidazolidin-1-yl]methyl]prop-2-enoate

C24H30N2O6 — CID 11626399

IUPACethyl 2-[[3-benzyl-5-(3-ethoxy-3-oxopropyl)-2,4-dioxo-5-prop-2-enylimidazolidin-1-yl]methyl]prop-2-enoate
SMILESC=CCC1(CCC(=O)OCC)C(=O)N(Cc2ccccc2)C(=O)N1CC(=C)C(=O)OCC
InChIInChI=1S/C24H30N2O6/c1-5-14-24(15-13-20(27)31-6-2)22(29)25(17-19-11-9-8-10-12-19)23(30)26(24)16-18(4)21(28)32-7-3/h5,8-12H,1,4,6-7,13-17H2,2-3H3
InChIKeyJRRJBFJMNMOCIZ-UHFFFAOYSA-N
MW442.51 g/mol
LogP3.23
Rot. Bonds12

About ethyl 2-[[3-benzyl-5-(3-ethoxy-3-oxopropyl)-2,4-dioxo-5-prop-2-enylimidazolidin-1-yl]methyl]prop-2-enoate

ethyl 2-[[3-benzyl-5-(3-ethoxy-3-oxopropyl)-2,4-dioxo-5-prop-2-enylimidazolidin-1-yl]methyl]prop-2-enoate (PubChem CID 11626399) has the molecular formula C24H30N2O6 and a molecular weight of 442.51 g/mol. Its IUPAC name is ethyl 2-[[3-benzyl-5-(3-ethoxy-3-oxopropyl)-2,4-dioxo-5-prop-2-enylimidazolidin-1-yl]methyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-[[3-benzyl-5-(3-ethoxy-3-oxopropyl)-2,4-dioxo-5-prop-2-enylimidazolidin-1-yl]methyl]prop-2-enoate
PubChem CID11626399
Molecular FormulaC24H30N2O6
Molecular Weight442.51 g/mol
Exact Mass442.21
IUPAC Nameethyl 2-[[3-benzyl-5-(3-ethoxy-3-oxopropyl)-2,4-dioxo-5-prop-2-enylimidazolidin-1-yl]methyl]prop-2-enoate
SMILESC=CCC1(CCC(=O)OCC)C(=O)N(Cc2ccccc2)C(=O)N1CC(=C)C(=O)OCC
InChIInChI=1S/C24H30N2O6/c1-5-14-24(15-13-20(27)31-6-2)22(29)25(17-19-11-9-8-10-12-19)23(30)26(24)16-18(4)21(28)32-7-3/h5,8-12H,1,4,6-7,13-17H2,2-3H3
InChIKeyJRRJBFJMNMOCIZ-UHFFFAOYSA-N
XLogP3.23
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.51
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl 2-[[3-benzyl-5-(3-ethoxy-3-oxopropyl)-2,4-dioxo-5-prop-2-enylimidazolidin-1-yl]methyl]prop-2-enoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-benzyl-5-(3-ethoxy-3-oxopropyl)-2,4-dioxo-5-prop-2-enylimidazolidin-1-yl]methyl]prop-2-enoate?
The IUPAC name of ethyl 2-[[3-benzyl-5-(3-ethoxy-3-oxopropyl)-2,4-dioxo-5-prop-2-enylimidazolidin-1-yl]methyl]prop-2-enoate (CID 11626399) is ethyl 2-[[3-benzyl-5-(3-ethoxy-3-oxopropyl)-2,4-dioxo-5-prop-2-enylimidazolidin-1-yl]methyl]prop-2-enoate.
What is the SMILES notation for ethyl 2-[[3-benzyl-5-(3-ethoxy-3-oxopropyl)-2,4-dioxo-5-prop-2-enylimidazolidin-1-yl]methyl]prop-2-enoate?
The canonical SMILES for ethyl 2-[[3-benzyl-5-(3-ethoxy-3-oxopropyl)-2,4-dioxo-5-prop-2-enylimidazolidin-1-yl]methyl]prop-2-enoate is C=CCC1(CCC(=O)OCC)C(=O)N(Cc2ccccc2)C(=O)N1CC(=C)C(=O)OCC.
What is the InChIKey of ethyl 2-[[3-benzyl-5-(3-ethoxy-3-oxopropyl)-2,4-dioxo-5-prop-2-enylimidazolidin-1-yl]methyl]prop-2-enoate?
The InChIKey is JRRJBFJMNMOCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O6/c1-5-14-24(15-13-20(27)31-6-2)22(29)25(17-19-11-9-8-10-12-19)23(30)26(24)16-18(4)21(28)32-7-3/h5,8-12H,1,4,6-7,13-17H2,2-3H3.
What are the key properties of ethyl 2-[[3-benzyl-5-(3-ethoxy-3-oxopropyl)-2,4-dioxo-5-prop-2-enylimidazolidin-1-yl]methyl]prop-2-enoate?
ethyl 2-[[3-benzyl-5-(3-ethoxy-3-oxopropyl)-2,4-dioxo-5-prop-2-enylimidazolidin-1-yl]methyl]prop-2-enoate has a molecular weight of 442.51 g/mol, XLogP of 3.23, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3-benzyl-5-(3-ethoxy-3-oxopropyl)-2,4-dioxo-5-prop-2-enylimidazolidin-1-yl]methyl]prop-2-enoate is sourced from PubChem (CID 11626399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).