N-(4-ethoxyphenyl)-2-[(4Z)-4-[(2-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide

C21H21N3O5 — CID 16632809

IUPACN-(4-ethoxyphenyl)-2-[(4Z)-4-[(2-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCCOc1ccc(NC(=O)CN2C(=O)N/C(=C\c3ccccc3OC)C2=O)cc1
InChIInChI=1S/C21H21N3O5/c1-3-29-16-10-8-15(9-11-16)22-19(25)13-24-20(26)17(23-21(24)27)12-14-6-4-5-7-18(14)28-2/h4-12H,3,13H2,1-2H3,(H,22,25)(H,23,27)/b17-12-
InChIKeyJHGRMMCJOHPAOX-ATVHPVEESA-N
MW395.42 g/mol
LogP2.63
Rot. Bonds7

About N-(4-ethoxyphenyl)-2-[(4Z)-4-[(2-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide

N-(4-ethoxyphenyl)-2-[(4Z)-4-[(2-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 16632809) has the molecular formula C21H21N3O5 and a molecular weight of 395.42 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[(4Z)-4-[(2-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[(4Z)-4-[(2-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID16632809
Molecular FormulaC21H21N3O5
Molecular Weight395.42 g/mol
Exact Mass395.15
IUPAC NameN-(4-ethoxyphenyl)-2-[(4Z)-4-[(2-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCCOc1ccc(NC(=O)CN2C(=O)N/C(=C\c3ccccc3OC)C2=O)cc1
InChIInChI=1S/C21H21N3O5/c1-3-29-16-10-8-15(9-11-16)22-19(25)13-24-20(26)17(23-21(24)27)12-14-6-4-5-7-18(14)28-2/h4-12H,3,13H2,1-2H3,(H,22,25)(H,23,27)/b17-12-
InChIKeyJHGRMMCJOHPAOX-ATVHPVEESA-N
XLogP2.63
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyphenyl)-2-[4-[(2-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4654642
N-(4-ethoxyphenyl)-2-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 16632796
2-[(4Z)-4-[(3-bromophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 16632810
2-[(4Z)-4-[(2-chloro-4-ethoxy-5-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 21216061
2-[(4E)-4-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 126241416
N-(4-fluorophenyl)-2-[(4E)-4-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 22778642
2-[(4E)-4-[(2-bromo-4,5-diethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 126030684
N-(4-fluorophenyl)-2-[(4Z)-4-[(2-fluorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 16632699
N-(2-methoxyphenyl)-2-[(4Z)-4-[(2-methylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 17354273
N-(4-methylphenyl)-2-[(4Z)-4-[(2-methylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 19256101
2-[(5E)-5-[(2-ethoxy-3-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-ethoxyphenyl)acetamide
CID 126179066
N-(4-fluorophenyl)-2-[(4Z)-4-[(2-iodophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 124553299

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[(4Z)-4-[(2-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[(4Z)-4-[(2-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide (CID 16632809) is N-(4-ethoxyphenyl)-2-[(4Z)-4-[(2-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[(4Z)-4-[(2-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[(4Z)-4-[(2-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide is CCOc1ccc(NC(=O)CN2C(=O)N/C(=C\c3ccccc3OC)C2=O)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[(4Z)-4-[(2-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is JHGRMMCJOHPAOX-ATVHPVEESA-N. The full InChI is InChI=1S/C21H21N3O5/c1-3-29-16-10-8-15(9-11-16)22-19(25)13-24-20(26)17(23-21(24)27)12-14-6-4-5-7-18(14)28-2/h4-12H,3,13H2,1-2H3,(H,22,25)(H,23,27)/b17-12-.
What are the key properties of N-(4-ethoxyphenyl)-2-[(4Z)-4-[(2-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide?
N-(4-ethoxyphenyl)-2-[(4Z)-4-[(2-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 395.42 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[(4Z)-4-[(2-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 16632809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).