N-[(3,4-dimethoxyphenyl)methyl]-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide

C26H25N3O5 — CID 4798042

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide
SMILESCOc1ccc(CNC(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cc1OC
InChIInChI=1S/C26H25N3O5/c1-33-21-14-13-18(15-22(21)34-2)16-27-23(30)17-29-24(31)26(28-25(29)32,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-15H,16-17H2,1-2H3,(H,27,30)(H,28,32)
InChIKeyWZEGMMJAWWAFNE-UHFFFAOYSA-N
MW459.50 g/mol
LogP2.82
Rot. Bonds8

About N-[(3,4-dimethoxyphenyl)methyl]-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide

N-[(3,4-dimethoxyphenyl)methyl]-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide (PubChem CID 4798042) has the molecular formula C26H25N3O5 and a molecular weight of 459.50 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide
PubChem CID4798042
Molecular FormulaC26H25N3O5
Molecular Weight459.50 g/mol
Exact Mass459.18
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide
SMILESCOc1ccc(CNC(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cc1OC
InChIInChI=1S/C26H25N3O5/c1-33-21-14-13-18(15-22(21)34-2)16-27-23(30)17-29-24(31)26(28-25(29)32,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-15H,16-17H2,1-2H3,(H,27,30)(H,28,32)
InChIKeyWZEGMMJAWWAFNE-UHFFFAOYSA-N
XLogP2.82
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.50
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide (CID 4798042) is N-[(3,4-dimethoxyphenyl)methyl]-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide is COc1ccc(CNC(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide?
The InChIKey is WZEGMMJAWWAFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O5/c1-33-21-14-13-18(15-22(21)34-2)16-27-23(30)17-29-24(31)26(28-25(29)32,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-15H,16-17H2,1-2H3,(H,27,30)(H,28,32).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide?
N-[(3,4-dimethoxyphenyl)methyl]-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide has a molecular weight of 459.50 g/mol, XLogP of 2.82, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 4798042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).