2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(4-ethoxyphenyl)acetamide

C26H25N3O4 — CID 41152635

IUPAC2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CN2C(=O)N[C@@](Cc3ccccc3)(c3ccccc3)C2=O)cc1
InChIInChI=1S/C26H25N3O4/c1-2-33-22-15-13-21(14-16-22)27-23(30)18-29-24(31)26(28-25(29)32,20-11-7-4-8-12-20)17-19-9-5-3-6-10-19/h3-16H,2,17-18H2,1H3,(H,27,30)(H,28,32)/t26-/m0/s1
InChIKeyDZZJTPIVKKHRQT-SANMLTNESA-N
MW443.50 g/mol
LogP3.71
Rot. Bonds8

About 2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(4-ethoxyphenyl)acetamide

2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(4-ethoxyphenyl)acetamide (PubChem CID 41152635) has the molecular formula C26H25N3O4 and a molecular weight of 443.50 g/mol. Its IUPAC name is 2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(4-ethoxyphenyl)acetamide
PubChem CID41152635
Molecular FormulaC26H25N3O4
Molecular Weight443.50 g/mol
Exact Mass443.18
IUPAC Name2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CN2C(=O)N[C@@](Cc3ccccc3)(c3ccccc3)C2=O)cc1
InChIInChI=1S/C26H25N3O4/c1-2-33-22-15-13-21(14-16-22)27-23(30)18-29-24(31)26(28-25(29)32,20-11-7-4-8-12-20)17-19-9-5-3-6-10-19/h3-16H,2,17-18H2,1H3,(H,27,30)(H,28,32)/t26-/m0/s1
InChIKeyDZZJTPIVKKHRQT-SANMLTNESA-N
XLogP3.71
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-methylphenyl)acetamide
CID 16545157
4-[[2-[(4R)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]amino]benzamide
CID 2705390
4-[[2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]amino]benzamide
CID 2705391
N-(4-ethoxyphenyl)-2-[(4R)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7595517
2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)-N-(4-phenoxyphenyl)acetamide
CID 4081516
2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 7637654
2-[(4R)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(methylcarbamoyl)acetamide
CID 2705361
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-propylphenyl)acetamide
CID 24565803
2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-(4-ethylphenyl)acetamide
CID 2585532
N-(4-chlorophenyl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7179775
2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2089932
2-[(4R)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(propylcarbamoyl)acetamide
CID 7300104

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(4-ethoxyphenyl)acetamide?
The IUPAC name of 2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(4-ethoxyphenyl)acetamide (CID 41152635) is 2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(NC(=O)CN2C(=O)N[C@@](Cc3ccccc3)(c3ccccc3)C2=O)cc1.
What is the InChIKey of 2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(4-ethoxyphenyl)acetamide?
The InChIKey is DZZJTPIVKKHRQT-SANMLTNESA-N. The full InChI is InChI=1S/C26H25N3O4/c1-2-33-22-15-13-21(14-16-22)27-23(30)18-29-24(31)26(28-25(29)32,20-11-7-4-8-12-20)17-19-9-5-3-6-10-19/h3-16H,2,17-18H2,1H3,(H,27,30)(H,28,32)/t26-/m0/s1.
What are the key properties of 2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(4-ethoxyphenyl)acetamide?
2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(4-ethoxyphenyl)acetamide has a molecular weight of 443.50 g/mol, XLogP of 3.71, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 41152635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).