ethyl 2-[[4-(3,4-dimethoxyphenyl)-3-(3-ethoxy-3-oxopropyl)-2,5-dioxoimidazolidin-1-yl]methyl]prop-2-enoate

C22H28N2O8 — CID 67905483

IUPACethyl 2-[[4-(3,4-dimethoxyphenyl)-3-(3-ethoxy-3-oxopropyl)-2,5-dioxoimidazolidin-1-yl]methyl]prop-2-enoate
SMILESC=C(CN1C(=O)C(c2ccc(OC)c(OC)c2)N(CCC(=O)OCC)C1=O)C(=O)OCC
InChIInChI=1S/C22H28N2O8/c1-6-31-18(25)10-11-23-19(15-8-9-16(29-4)17(12-15)30-5)20(26)24(22(23)28)13-14(3)21(27)32-7-2/h8-9,12,19H,3,6-7,10-11,13H2,1-2,4-5H3
InChIKeyMWDZJSGKOMQZFD-UHFFFAOYSA-N
MW448.47 g/mol
LogP2.08
Rot. Bonds11

About ethyl 2-[[4-(3,4-dimethoxyphenyl)-3-(3-ethoxy-3-oxopropyl)-2,5-dioxoimidazolidin-1-yl]methyl]prop-2-enoate

ethyl 2-[[4-(3,4-dimethoxyphenyl)-3-(3-ethoxy-3-oxopropyl)-2,5-dioxoimidazolidin-1-yl]methyl]prop-2-enoate (PubChem CID 67905483) has the molecular formula C22H28N2O8 and a molecular weight of 448.47 g/mol. Its IUPAC name is ethyl 2-[[4-(3,4-dimethoxyphenyl)-3-(3-ethoxy-3-oxopropyl)-2,5-dioxoimidazolidin-1-yl]methyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-[[4-(3,4-dimethoxyphenyl)-3-(3-ethoxy-3-oxopropyl)-2,5-dioxoimidazolidin-1-yl]methyl]prop-2-enoate
PubChem CID67905483
Molecular FormulaC22H28N2O8
Molecular Weight448.47 g/mol
Exact Mass448.18
IUPAC Nameethyl 2-[[4-(3,4-dimethoxyphenyl)-3-(3-ethoxy-3-oxopropyl)-2,5-dioxoimidazolidin-1-yl]methyl]prop-2-enoate
SMILESC=C(CN1C(=O)C(c2ccc(OC)c(OC)c2)N(CCC(=O)OCC)C1=O)C(=O)OCC
InChIInChI=1S/C22H28N2O8/c1-6-31-18(25)10-11-23-19(15-8-9-16(29-4)17(12-15)30-5)20(26)24(22(23)28)13-14(3)21(27)32-7-2/h8-9,12,19H,3,6-7,10-11,13H2,1-2,4-5H3
InChIKeyMWDZJSGKOMQZFD-UHFFFAOYSA-N
XLogP2.08
TPSA111.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.47
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze ethyl 2-[[4-(3,4-dimethoxyphenyl)-3-(3-ethoxy-3-oxopropyl)-2,5-dioxoimidazolidin-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-[[4-(3,4-dimethoxyphenyl)-3-(3-ethoxy-3-oxopropyl)-2,5-dioxoimidazolidin-1-yl]methyl]prop-2-enoate?
The IUPAC name of ethyl 2-[[4-(3,4-dimethoxyphenyl)-3-(3-ethoxy-3-oxopropyl)-2,5-dioxoimidazolidin-1-yl]methyl]prop-2-enoate (CID 67905483) is ethyl 2-[[4-(3,4-dimethoxyphenyl)-3-(3-ethoxy-3-oxopropyl)-2,5-dioxoimidazolidin-1-yl]methyl]prop-2-enoate.
What is the SMILES notation for ethyl 2-[[4-(3,4-dimethoxyphenyl)-3-(3-ethoxy-3-oxopropyl)-2,5-dioxoimidazolidin-1-yl]methyl]prop-2-enoate?
The canonical SMILES for ethyl 2-[[4-(3,4-dimethoxyphenyl)-3-(3-ethoxy-3-oxopropyl)-2,5-dioxoimidazolidin-1-yl]methyl]prop-2-enoate is C=C(CN1C(=O)C(c2ccc(OC)c(OC)c2)N(CCC(=O)OCC)C1=O)C(=O)OCC.
What is the InChIKey of ethyl 2-[[4-(3,4-dimethoxyphenyl)-3-(3-ethoxy-3-oxopropyl)-2,5-dioxoimidazolidin-1-yl]methyl]prop-2-enoate?
The InChIKey is MWDZJSGKOMQZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O8/c1-6-31-18(25)10-11-23-19(15-8-9-16(29-4)17(12-15)30-5)20(26)24(22(23)28)13-14(3)21(27)32-7-2/h8-9,12,19H,3,6-7,10-11,13H2,1-2,4-5H3.
What are the key properties of ethyl 2-[[4-(3,4-dimethoxyphenyl)-3-(3-ethoxy-3-oxopropyl)-2,5-dioxoimidazolidin-1-yl]methyl]prop-2-enoate?
ethyl 2-[[4-(3,4-dimethoxyphenyl)-3-(3-ethoxy-3-oxopropyl)-2,5-dioxoimidazolidin-1-yl]methyl]prop-2-enoate has a molecular weight of 448.47 g/mol, XLogP of 2.08, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-(3,4-dimethoxyphenyl)-3-(3-ethoxy-3-oxopropyl)-2,5-dioxoimidazolidin-1-yl]methyl]prop-2-enoate is sourced from PubChem (CID 67905483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).