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

C20H19N3O5 — CID 16632770

IUPACN-(4-methoxyphenyl)-2-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCOc1ccc(/C=C2\NC(=O)N(CC(=O)Nc3ccc(OC)cc3)C2=O)cc1
InChIInChI=1S/C20H19N3O5/c1-27-15-7-3-13(4-8-15)11-17-19(25)23(20(26)22-17)12-18(24)21-14-5-9-16(28-2)10-6-14/h3-11H,12H2,1-2H3,(H,21,24)(H,22,26)/b17-11-
InChIKeySMOJSQYKACRSRZ-BOPFTXTBSA-N
MW381.39 g/mol
LogP2.24
Rot. Bonds6

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

N-(4-methoxyphenyl)-2-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 16632770) has the molecular formula C20H19N3O5 and a molecular weight of 381.39 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID16632770
Molecular FormulaC20H19N3O5
Molecular Weight381.39 g/mol
Exact Mass381.13
IUPAC NameN-(4-methoxyphenyl)-2-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCOc1ccc(/C=C2\NC(=O)N(CC(=O)Nc3ccc(OC)cc3)C2=O)cc1
InChIInChI=1S/C20H19N3O5/c1-27-15-7-3-13(4-8-15)11-17-19(25)23(20(26)22-17)12-18(24)21-14-5-9-16(28-2)10-6-14/h3-11H,12H2,1-2H3,(H,21,24)(H,22,26)/b17-11-
InChIKeySMOJSQYKACRSRZ-BOPFTXTBSA-N
XLogP2.24
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 52.24
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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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide (CID 16632770) is N-(4-methoxyphenyl)-2-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide is COc1ccc(/C=C2\NC(=O)N(CC(=O)Nc3ccc(OC)cc3)C2=O)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is SMOJSQYKACRSRZ-BOPFTXTBSA-N. The full InChI is InChI=1S/C20H19N3O5/c1-27-15-7-3-13(4-8-15)11-17-19(25)23(20(26)22-17)12-18(24)21-14-5-9-16(28-2)10-6-14/h3-11H,12H2,1-2H3,(H,21,24)(H,22,26)/b17-11-.
What are the key properties of N-(4-methoxyphenyl)-2-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide?
N-(4-methoxyphenyl)-2-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 381.39 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 16632770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).