2-[4,4-bis(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide

C27H27N3O3 — CID 2089214

IUPAC2-[4,4-bis(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CN2C(=O)NC(c3ccc(C)cc3)(c3ccc(C)cc3)C2=O)cc1
InChIInChI=1S/C27H27N3O3/c1-18-4-10-21(11-5-18)16-28-24(31)17-30-25(32)27(29-26(30)33,22-12-6-19(2)7-13-22)23-14-8-20(3)9-15-23/h4-15H,16-17H2,1-3H3,(H,28,31)(H,29,33)
InChIKeyQYBPSILBLZAAPK-UHFFFAOYSA-N
MW441.53 g/mol
LogP3.72
Rot. Bonds6

About 2-[4,4-bis(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide

2-[4,4-bis(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 2089214) has the molecular formula C27H27N3O3 and a molecular weight of 441.53 g/mol. Its IUPAC name is 2-[4,4-bis(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4,4-bis(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
PubChem CID2089214
Molecular FormulaC27H27N3O3
Molecular Weight441.53 g/mol
Exact Mass441.21
IUPAC Name2-[4,4-bis(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CN2C(=O)NC(c3ccc(C)cc3)(c3ccc(C)cc3)C2=O)cc1
InChIInChI=1S/C27H27N3O3/c1-18-4-10-21(11-5-18)16-28-24(31)17-30-25(32)27(29-26(30)33,22-12-6-19(2)7-13-22)23-14-8-20(3)9-15-23/h4-15H,16-17H2,1-3H3,(H,28,31)(H,29,33)
InChIKeyQYBPSILBLZAAPK-UHFFFAOYSA-N
XLogP3.72
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51207809
N-benzyl-2-[(4R)-4-ethyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 26010815
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(4-methylphenyl)acetamide
CID 84601269
2-[4,4-bis(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 2470081
2-(1,3-dioxoisoindol-2-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 874332
2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 42964323
2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-pentylacetamide
CID 40748614
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 2711629
N-benzyl-2-[(4R)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40873139
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 2117749
3-[(4-methylphenyl)methyl]-5,5-diphenylimidazolidine-2,4-dione
CID 4810451
2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 47095418

Frequently Asked Questions

What is the IUPAC name of 2-[4,4-bis(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[4,4-bis(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide (CID 2089214) is 2-[4,4-bis(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[4,4-bis(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[4,4-bis(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)CN2C(=O)NC(c3ccc(C)cc3)(c3ccc(C)cc3)C2=O)cc1.
What is the InChIKey of 2-[4,4-bis(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is QYBPSILBLZAAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O3/c1-18-4-10-21(11-5-18)16-28-24(31)17-30-25(32)27(29-26(30)33,22-12-6-19(2)7-13-22)23-14-8-20(3)9-15-23/h4-15H,16-17H2,1-3H3,(H,28,31)(H,29,33).
What are the key properties of 2-[4,4-bis(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide?
2-[4,4-bis(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 441.53 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,4-bis(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 2089214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).