2-[2-[(E)-[1-[(3-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]-N-phenylacetamide

C26H23N3O4 — CID 126250162

IUPAC2-[2-[(E)-[1-[(3-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]-N-phenylacetamide
SMILESCc1cccc(CN2C(=O)N/C(=C/c3ccccc3OCC(=O)Nc3ccccc3)C2=O)c1
InChIInChI=1S/C26H23N3O4/c1-18-8-7-9-19(14-18)16-29-25(31)22(28-26(29)32)15-20-10-5-6-13-23(20)33-17-24(30)27-21-11-3-2-4-12-21/h2-15H,16-17H2,1H3,(H,27,30)(H,28,32)/b22-15+
InChIKeyVUNPALWJERBDFM-PXLXIMEGSA-N
MW441.49 g/mol
LogP4.11
Rot. Bonds7

About 2-[2-[(E)-[1-[(3-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]-N-phenylacetamide

2-[2-[(E)-[1-[(3-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]-N-phenylacetamide (PubChem CID 126250162) has the molecular formula C26H23N3O4 and a molecular weight of 441.49 g/mol. Its IUPAC name is 2-[2-[(E)-[1-[(3-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-[(E)-[1-[(3-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]-N-phenylacetamide
PubChem CID126250162
Molecular FormulaC26H23N3O4
Molecular Weight441.49 g/mol
Exact Mass441.17
IUPAC Name2-[2-[(E)-[1-[(3-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]-N-phenylacetamide
SMILESCc1cccc(CN2C(=O)N/C(=C/c3ccccc3OCC(=O)Nc3ccccc3)C2=O)c1
InChIInChI=1S/C26H23N3O4/c1-18-8-7-9-19(14-18)16-29-25(31)22(28-26(29)32)15-20-10-5-6-13-23(20)33-17-24(30)27-21-11-3-2-4-12-21/h2-15H,16-17H2,1H3,(H,27,30)(H,28,32)/b22-15+
InChIKeyVUNPALWJERBDFM-PXLXIMEGSA-N
XLogP4.11
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-phenylacetamide
CID 6520725
N-(3-methylphenyl)-2-[(4E)-4-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 126109772
2-[2-[(E)-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 126194833
2-[2-[(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 4553785
N-(3-methylphenyl)-2-[(4E)-4-[[2-(naphthalen-2-ylmethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 126107889
N-(2-fluorophenyl)-2-[(4E)-4-[[2-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 126206852
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-[(2-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]-6-methoxyphenoxy]-N-phenylacetamide
CID 126073693
2-[4-[(E)-(1-benzyl-2,5-dioxoimidazolidin-4-ylidene)methyl]-2-chloro-6-methoxyphenoxy]-N-phenylacetamide
CID 126245228
(5E)-5-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126248453
2-[5-bromo-2-methoxy-4-[(E)-[1-[2-(3-methylanilino)-2-oxoethyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]acetic acid
CID 126113956
2-[(4E)-4-[[4-(2-anilino-2-oxoethoxy)-3-iodo-5-methoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 126107609

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-[1-[(3-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]-N-phenylacetamide?
The IUPAC name of 2-[2-[(E)-[1-[(3-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]-N-phenylacetamide (CID 126250162) is 2-[2-[(E)-[1-[(3-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]-N-phenylacetamide.
What is the SMILES notation for 2-[2-[(E)-[1-[(3-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]-N-phenylacetamide?
The canonical SMILES for 2-[2-[(E)-[1-[(3-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]-N-phenylacetamide is Cc1cccc(CN2C(=O)N/C(=C/c3ccccc3OCC(=O)Nc3ccccc3)C2=O)c1.
What is the InChIKey of 2-[2-[(E)-[1-[(3-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]-N-phenylacetamide?
The InChIKey is VUNPALWJERBDFM-PXLXIMEGSA-N. The full InChI is InChI=1S/C26H23N3O4/c1-18-8-7-9-19(14-18)16-29-25(31)22(28-26(29)32)15-20-10-5-6-13-23(20)33-17-24(30)27-21-11-3-2-4-12-21/h2-15H,16-17H2,1H3,(H,27,30)(H,28,32)/b22-15+.
What are the key properties of 2-[2-[(E)-[1-[(3-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]-N-phenylacetamide?
2-[2-[(E)-[1-[(3-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]-N-phenylacetamide has a molecular weight of 441.49 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-[1-[(3-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]-N-phenylacetamide is sourced from PubChem (CID 126250162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).