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

C18H15N3O4 — CID 806571

IUPAC2-[2-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]-N-phenylacetamide
SMILESO=C(COc1ccccc1/C=C1/NC(=O)NC1=O)Nc1ccccc1
InChIInChI=1S/C18H15N3O4/c22-16(19-13-7-2-1-3-8-13)11-25-15-9-5-4-6-12(15)10-14-17(23)21-18(24)20-14/h1-10H,11H2,(H,19,22)(H2,20,21,23,24)/b14-10+
InChIKeyMZLZBWOHZGUZMY-GXDHUFHOSA-N
MW337.34 g/mol
LogP1.88
Rot. Bonds5

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

2-[2-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]-N-phenylacetamide (PubChem CID 806571) has the molecular formula C18H15N3O4 and a molecular weight of 337.34 g/mol. Its IUPAC name is 2-[2-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]-N-phenylacetamide
PubChem CID806571
Molecular FormulaC18H15N3O4
Molecular Weight337.34 g/mol
Exact Mass337.11
IUPAC Name2-[2-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]-N-phenylacetamide
SMILESO=C(COc1ccccc1/C=C1/NC(=O)NC1=O)Nc1ccccc1
InChIInChI=1S/C18H15N3O4/c22-16(19-13-7-2-1-3-8-13)11-25-15-9-5-4-6-12(15)10-14-17(23)21-18(24)20-14/h1-10H,11H2,(H,19,22)(H2,20,21,23,24)/b14-10+
InChIKeyMZLZBWOHZGUZMY-GXDHUFHOSA-N
XLogP1.88
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 51.88
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]-N-phenylacetamide?
The IUPAC name of 2-[2-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]-N-phenylacetamide (CID 806571) is 2-[2-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]-N-phenylacetamide.
What is the SMILES notation for 2-[2-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]-N-phenylacetamide?
The canonical SMILES for 2-[2-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]-N-phenylacetamide is O=C(COc1ccccc1/C=C1/NC(=O)NC1=O)Nc1ccccc1.
What is the InChIKey of 2-[2-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]-N-phenylacetamide?
The InChIKey is MZLZBWOHZGUZMY-GXDHUFHOSA-N. The full InChI is InChI=1S/C18H15N3O4/c22-16(19-13-7-2-1-3-8-13)11-25-15-9-5-4-6-12(15)10-14-17(23)21-18(24)20-14/h1-10H,11H2,(H,19,22)(H2,20,21,23,24)/b14-10+.
What are the key properties of 2-[2-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]-N-phenylacetamide?
2-[2-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]-N-phenylacetamide has a molecular weight of 337.34 g/mol, XLogP of 1.88, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]-N-phenylacetamide is sourced from PubChem (CID 806571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).