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

C25H26N4O7 — CID 126233774

IUPACN-(4-methoxyphenyl)-2-[(4Z)-4-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCOc1ccc(NC(=O)CN2C(=O)N/C(=C\c3ccc(OCC(=O)N4CCOCC4)cc3)C2=O)cc1
InChIInChI=1S/C25H26N4O7/c1-34-19-8-4-18(5-9-19)26-22(30)15-29-24(32)21(27-25(29)33)14-17-2-6-20(7-3-17)36-16-23(31)28-10-12-35-13-11-28/h2-9,14H,10-13,15-16H2,1H3,(H,26,30)(H,27,33)/b21-14-
InChIKeyQGENQTRARHYVQF-STZFKDTASA-N
MW494.50 g/mol
LogP1.46
Rot. Bonds8

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

N-(4-methoxyphenyl)-2-[(4Z)-4-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 126233774) has the molecular formula C25H26N4O7 and a molecular weight of 494.50 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[(4Z)-4-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[(4Z)-4-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID126233774
Molecular FormulaC25H26N4O7
Molecular Weight494.50 g/mol
Exact Mass494.18
IUPAC NameN-(4-methoxyphenyl)-2-[(4Z)-4-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCOc1ccc(NC(=O)CN2C(=O)N/C(=C\c3ccc(OCC(=O)N4CCOCC4)cc3)C2=O)cc1
InChIInChI=1S/C25H26N4O7/c1-34-19-8-4-18(5-9-19)26-22(30)15-29-24(32)21(27-25(29)33)14-17-2-6-20(7-3-17)36-16-23(31)28-10-12-35-13-11-28/h2-9,14H,10-13,15-16H2,1H3,(H,26,30)(H,27,33)/b21-14-
InChIKeyQGENQTRARHYVQF-STZFKDTASA-N
XLogP1.46
TPSA126.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.50
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

2-[(4Z)-4-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
CID 126235840
2-[(4Z)-4-[[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-chlorophenyl)acetamide
CID 126379649
N-(4-methylphenyl)-2-[(5E)-5-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 126174896
N-(4-methoxyphenyl)-2-[(4Z)-4-[[4-(4-methylphenyl)sulfanylphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 126229568
2-[(4Z)-4-[[4-(2-amino-2-oxoethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 6240818
N-(4-ethoxyphenyl)-2-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 16632796
2-[(4E)-4-[(1-cyclohexylpyrrol-3-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 50854766
N-(4-chlorophenyl)-2-[(4E)-4-[(4-morpholin-4-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 6382274
N-(3,5-dimethylphenyl)-2-[(5E)-5-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 126277714
4-(4-methoxyphenyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]oxane-4-carboxamide
CID 100687083
(2R)-2-[2-methoxy-4-[(Z)-[1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]propanoic acid
CID 126019746
methyl N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]carbamate
CID 2923381

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[(4Z)-4-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[(4Z)-4-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide (CID 126233774) is N-(4-methoxyphenyl)-2-[(4Z)-4-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[(4Z)-4-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[(4Z)-4-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide is COc1ccc(NC(=O)CN2C(=O)N/C(=C\c3ccc(OCC(=O)N4CCOCC4)cc3)C2=O)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[(4Z)-4-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is QGENQTRARHYVQF-STZFKDTASA-N. The full InChI is InChI=1S/C25H26N4O7/c1-34-19-8-4-18(5-9-19)26-22(30)15-29-24(32)21(27-25(29)33)14-17-2-6-20(7-3-17)36-16-23(31)28-10-12-35-13-11-28/h2-9,14H,10-13,15-16H2,1H3,(H,26,30)(H,27,33)/b21-14-.
What are the key properties of N-(4-methoxyphenyl)-2-[(4Z)-4-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide?
N-(4-methoxyphenyl)-2-[(4Z)-4-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 494.50 g/mol, XLogP of 1.46, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[(4Z)-4-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 126233774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).