2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-naphthalen-1-ylacetamide

C25H25N3O3 — CID 55326957

IUPAC2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-naphthalen-1-ylacetamide
SMILESCCCCC1(c2ccccc2)NC(=O)N(CC(=O)Nc2cccc3ccccc23)C1=O
InChIInChI=1S/C25H25N3O3/c1-2-3-16-25(19-12-5-4-6-13-19)23(30)28(24(31)27-25)17-22(29)26-21-15-9-11-18-10-7-8-14-20(18)21/h4-15H,2-3,16-17H2,1H3,(H,26,29)(H,27,31)
InChIKeyLYOIHXVWGVFPAJ-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.42
Rot. Bonds7

About 2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-naphthalen-1-ylacetamide

2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-naphthalen-1-ylacetamide (PubChem CID 55326957) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is 2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-naphthalen-1-ylacetamide
PubChem CID55326957
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC Name2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-naphthalen-1-ylacetamide
SMILESCCCCC1(c2ccccc2)NC(=O)N(CC(=O)Nc2cccc3ccccc23)C1=O
InChIInChI=1S/C25H25N3O3/c1-2-3-16-25(19-12-5-4-6-13-19)23(30)28(24(31)27-25)17-22(29)26-21-15-9-11-18-10-7-8-14-20(18)21/h4-15H,2-3,16-17H2,1H3,(H,26,29)(H,27,31)
InChIKeyLYOIHXVWGVFPAJ-UHFFFAOYSA-N
XLogP4.42
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.42
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

2-[(4R)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-1-ylacetamide
CID 41208231
N-(2-bromo-4-methylphenyl)-2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 55326971
2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 7622152
2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-1-ylacetamide
CID 41183201
2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 2582848
2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 2082745
2-[(4R)-4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[4-(difluoromethoxy)phenyl]acetamide
CID 41123926
N-(3-acetylphenyl)-2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
CID 2703685
N-(2-bromo-4-methylphenyl)-2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
CID 2161530
2-[[2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 4842135
2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-(4-ethylphenyl)acetamide
CID 2585532
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-naphthalen-1-ylacetamide
CID 2622589

Frequently Asked Questions

What is the IUPAC name of 2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-naphthalen-1-ylacetamide (CID 55326957) is 2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-naphthalen-1-ylacetamide is CCCCC1(c2ccccc2)NC(=O)N(CC(=O)Nc2cccc3ccccc23)C1=O.
What is the InChIKey of 2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-naphthalen-1-ylacetamide?
The InChIKey is LYOIHXVWGVFPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-2-3-16-25(19-12-5-4-6-13-19)23(30)28(24(31)27-25)17-22(29)26-21-15-9-11-18-10-7-8-14-20(18)21/h4-15H,2-3,16-17H2,1H3,(H,26,29)(H,27,31).
What are the key properties of 2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-naphthalen-1-ylacetamide?
2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-naphthalen-1-ylacetamide has a molecular weight of 415.49 g/mol, XLogP of 4.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 55326957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).