2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-1-ylacetamide

C23H21N3O4 — CID 4881550

IUPAC2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-1-ylacetamide
SMILESCOc1ccc(C2(C)NC(=O)N(CC(=O)Nc3cccc4ccccc34)C2=O)cc1
InChIInChI=1S/C23H21N3O4/c1-23(16-10-12-17(30-2)13-11-16)21(28)26(22(29)25-23)14-20(27)24-19-9-5-7-15-6-3-4-8-18(15)19/h3-13H,14H2,1-2H3,(H,24,27)(H,25,29)
InChIKeyZIKFXHYFCPBCKP-UHFFFAOYSA-N
MW403.44 g/mol
LogP3.25
Rot. Bonds5

About 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-1-ylacetamide

2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-1-ylacetamide (PubChem CID 4881550) has the molecular formula C23H21N3O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-1-ylacetamide
PubChem CID4881550
Molecular FormulaC23H21N3O4
Molecular Weight403.44 g/mol
Exact Mass403.15
IUPAC Name2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-1-ylacetamide
SMILESCOc1ccc(C2(C)NC(=O)N(CC(=O)Nc3cccc4ccccc34)C2=O)cc1
InChIInChI=1S/C23H21N3O4/c1-23(16-10-12-17(30-2)13-11-16)21(28)26(22(29)25-23)14-20(27)24-19-9-5-7-15-6-3-4-8-18(15)19/h3-13H,14H2,1-2H3,(H,24,27)(H,25,29)
InChIKeyZIKFXHYFCPBCKP-UHFFFAOYSA-N
XLogP3.25
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 53.25
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-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-1-ylacetamide
CID 41183201
N-(2-iodophenyl)-2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40857099
N-(2-fluorophenyl)-2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40841028
N-[2-(4-methoxyanilino)phenyl]-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40942598
2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 55677079
N-(2-benzylsulfanylphenyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 17431012
N-(2-methoxydibenzofuran-3-yl)-2-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 41192882
N-(2,5-dimethylphenyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 16547541
N-(2-methoxyphenyl)-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2582081
2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(phenylcarbamoyl)acetamide
CID 55419227
2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42898026
N-[3-(carbamoylamino)phenyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55539585

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-1-ylacetamide (CID 4881550) is 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-1-ylacetamide is COc1ccc(C2(C)NC(=O)N(CC(=O)Nc3cccc4ccccc34)C2=O)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-1-ylacetamide?
The InChIKey is ZIKFXHYFCPBCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4/c1-23(16-10-12-17(30-2)13-11-16)21(28)26(22(29)25-23)14-20(27)24-19-9-5-7-15-6-3-4-8-18(15)19/h3-13H,14H2,1-2H3,(H,24,27)(H,25,29).
What are the key properties of 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-1-ylacetamide?
2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-1-ylacetamide has a molecular weight of 403.44 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 4881550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).