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

C19H17N3O4 — CID 6520725

IUPAC2-[2-[(E)-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]-N-phenylacetamide
SMILESCN1C(=O)N/C(=C/c2ccccc2OCC(=O)Nc2ccccc2)C1=O
InChIInChI=1S/C19H17N3O4/c1-22-18(24)15(21-19(22)25)11-13-7-5-6-10-16(13)26-12-17(23)20-14-8-3-2-4-9-14/h2-11H,12H2,1H3,(H,20,23)(H,21,25)/b15-11+
InChIKeyKCVDUEOQPQFJAJ-RVDMUPIBSA-N
MW351.36 g/mol
LogP2.23
Rot. Bonds5

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

2-[2-[(E)-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]-N-phenylacetamide (PubChem CID 6520725) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is 2-[2-[(E)-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-[(E)-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]-N-phenylacetamide
PubChem CID6520725
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name2-[2-[(E)-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]-N-phenylacetamide
SMILESCN1C(=O)N/C(=C/c2ccccc2OCC(=O)Nc2ccccc2)C1=O
InChIInChI=1S/C19H17N3O4/c1-22-18(24)15(21-19(22)25)11-13-7-5-6-10-16(13)26-12-17(23)20-14-8-3-2-4-9-14/h2-11H,12H2,1H3,(H,20,23)(H,21,25)/b15-11+
InChIKeyKCVDUEOQPQFJAJ-RVDMUPIBSA-N
XLogP2.23
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.23
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-(4-methylphenyl)acetamide
CID 126194833
2-[2-[(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 4553785
2-[2-methoxy-6-[(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 3460351
2-[2-[(E)-[1-[(3-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]-N-phenylacetamide
CID 126250162
3-methyl-5-[(2-phenylmethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 4013801
2-[2-bromo-6-methoxy-4-[(E)-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]-N-phenylacetamide
CID 126198864
2-[2-[(E)-(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]-6-methoxyphenoxy]-N-phenylacetamide
CID 1003555
2-[2-ethoxy-6-iodo-4-[(E)-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]-N-phenylacetamide
CID 126200906
2-[2-[(Z)-(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy]-N-phenylacetamide
CID 126261587
N-(2-fluorophenyl)-2-[(4E)-4-[[2-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 126206852
2-[2-[(E)-[1-[(2-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]-6-methoxyphenoxy]-N-phenylacetamide
CID 126073693
2-[2-[(E)-(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 6505312

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]-N-phenylacetamide?
The IUPAC name of 2-[2-[(E)-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]-N-phenylacetamide (CID 6520725) is 2-[2-[(E)-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]-N-phenylacetamide.
What is the SMILES notation for 2-[2-[(E)-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]-N-phenylacetamide?
The canonical SMILES for 2-[2-[(E)-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]-N-phenylacetamide is CN1C(=O)N/C(=C/c2ccccc2OCC(=O)Nc2ccccc2)C1=O.
What is the InChIKey of 2-[2-[(E)-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]-N-phenylacetamide?
The InChIKey is KCVDUEOQPQFJAJ-RVDMUPIBSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-22-18(24)15(21-19(22)25)11-13-7-5-6-10-16(13)26-12-17(23)20-14-8-3-2-4-9-14/h2-11H,12H2,1H3,(H,20,23)(H,21,25)/b15-11+.
What are the key properties of 2-[2-[(E)-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]-N-phenylacetamide?
2-[2-[(E)-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]-N-phenylacetamide has a molecular weight of 351.36 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]-N-phenylacetamide is sourced from PubChem (CID 6520725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).