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

C28H29N3O4 — CID 46456306

IUPAC2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide
SMILESCc1ccc(C2(C)NC(=O)N(CC(=O)NCc3ccccc3COCc3ccccc3)C2=O)cc1
InChIInChI=1S/C28H29N3O4/c1-20-12-14-24(15-13-20)28(2)26(33)31(27(34)30-28)17-25(32)29-16-22-10-6-7-11-23(22)19-35-18-21-8-4-3-5-9-21/h3-15H,16-19H2,1-2H3,(H,29,32)(H,30,34)
InChIKeyADCAOONGFIHXLT-UHFFFAOYSA-N
MW471.56 g/mol
LogP3.80
Rot. Bonds9

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

2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide (PubChem CID 46456306) has the molecular formula C28H29N3O4 and a molecular weight of 471.56 g/mol. Its IUPAC name is 2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide
PubChem CID46456306
Molecular FormulaC28H29N3O4
Molecular Weight471.56 g/mol
Exact Mass471.22
IUPAC Name2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide
SMILESCc1ccc(C2(C)NC(=O)N(CC(=O)NCc3ccccc3COCc3ccccc3)C2=O)cc1
InChIInChI=1S/C28H29N3O4/c1-20-12-14-24(15-13-20)28(2)26(33)31(27(34)30-28)17-25(32)29-16-22-10-6-7-11-23(22)19-35-18-21-8-4-3-5-9-21/h3-15H,16-19H2,1-2H3,(H,29,32)(H,30,34)
InChIKeyADCAOONGFIHXLT-UHFFFAOYSA-N
XLogP3.80
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 53.80
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

N-benzyl-2-[(4R)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40873139
(4-methylphenyl)methyl 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 7708264
2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 42964323
N-[[4-(dimethylamino)phenyl]methyl]-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51207809
N-benzyl-2-[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51138694
2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3-phenylmethoxyphenyl)methyl]acetamide
CID 55846406
N-(2-amino-2-phenylethyl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide;hydrochloride
CID 119527688
N-[[2-(difluoromethoxy)phenyl]methyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 55507658
(5R)-5-methyl-5-(4-methylphenyl)-3-phenacylimidazolidine-2,4-dione
CID 2711028
N-(3-ethoxypropyl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 42987313
2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-pentylacetamide
CID 40748614
(5S)-3-benzyl-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 51463779

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide (CID 46456306) is 2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide is Cc1ccc(C2(C)NC(=O)N(CC(=O)NCc3ccccc3COCc3ccccc3)C2=O)cc1.
What is the InChIKey of 2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide?
The InChIKey is ADCAOONGFIHXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O4/c1-20-12-14-24(15-13-20)28(2)26(33)31(27(34)30-28)17-25(32)29-16-22-10-6-7-11-23(22)19-35-18-21-8-4-3-5-9-21/h3-15H,16-19H2,1-2H3,(H,29,32)(H,30,34).
What are the key properties of 2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide?
2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide has a molecular weight of 471.56 g/mol, XLogP of 3.80, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 46456306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).