2-[2-methoxy-6-[(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide

C21H21N3O5 — CID 3460351

IUPAC2-[2-methoxy-6-[(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide
SMILESCOc1cccc(C=C2NC(=O)N(C)C2=O)c1OCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C21H21N3O5/c1-13-7-9-15(10-8-13)22-18(25)12-29-19-14(5-4-6-17(19)28-3)11-16-20(26)24(2)21(27)23-16/h4-11H,12H2,1-3H3,(H,22,25)(H,23,27)
InChIKeyOQUOITNERHTTPG-UHFFFAOYSA-N
MW395.42 g/mol
LogP2.54
Rot. Bonds6

About 2-[2-methoxy-6-[(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide

2-[2-methoxy-6-[(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide (PubChem CID 3460351) has the molecular formula C21H21N3O5 and a molecular weight of 395.42 g/mol. Its IUPAC name is 2-[2-methoxy-6-[(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-methoxy-6-[(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide
PubChem CID3460351
Molecular FormulaC21H21N3O5
Molecular Weight395.42 g/mol
Exact Mass395.15
IUPAC Name2-[2-methoxy-6-[(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide
SMILESCOc1cccc(C=C2NC(=O)N(C)C2=O)c1OCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C21H21N3O5/c1-13-7-9-15(10-8-13)22-18(25)12-29-19-14(5-4-6-17(19)28-3)11-16-20(26)24(2)21(27)23-16/h4-11H,12H2,1-3H3,(H,22,25)(H,23,27)
InChIKeyOQUOITNERHTTPG-UHFFFAOYSA-N
XLogP2.54
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 52.54
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

2-[2-[(E)-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 126194833
2-[2-[(E)-(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]-6-methoxyphenoxy]-N-phenylacetamide
CID 1003555
2-[(4E)-4-[[2-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 126101551
2-[2-[(E)-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]-N-phenylacetamide
CID 6520725
2-[2-[(E)-[1-[(2-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]-6-methoxyphenoxy]-N-phenylacetamide
CID 126073693
2-[2-[(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 4553785
2-[2-bromo-6-methoxy-4-[(E)-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]-N-phenylacetamide
CID 126198864
2-[2-(hydroxymethyl)-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 45371710
2-[2-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 3918389
2-[2-[(E)-2-cyano-2-(4-methylphenyl)ethenyl]-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 21375434
2-(2-methoxyphenoxy)-N-(4-methylphenyl)acetamide
CID 675575
2-[2-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-6-methoxyphenoxy]-N-(4-fluorophenyl)acetamide
CID 2188548

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-6-[(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[2-methoxy-6-[(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide (CID 3460351) is 2-[2-methoxy-6-[(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-methoxy-6-[(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[2-methoxy-6-[(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide is COc1cccc(C=C2NC(=O)N(C)C2=O)c1OCC(=O)Nc1ccc(C)cc1.
What is the InChIKey of 2-[2-methoxy-6-[(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide?
The InChIKey is OQUOITNERHTTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5/c1-13-7-9-15(10-8-13)22-18(25)12-29-19-14(5-4-6-17(19)28-3)11-16-20(26)24(2)21(27)23-16/h4-11H,12H2,1-3H3,(H,22,25)(H,23,27).
What are the key properties of 2-[2-methoxy-6-[(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide?
2-[2-methoxy-6-[(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide has a molecular weight of 395.42 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-6-[(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 3460351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).