2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(4-phenylmethoxyphenyl)acetamide

C25H31N3O4 — CID 16545038

IUPAC2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(4-phenylmethoxyphenyl)acetamide
SMILESCCCCCCC1(C)NC(=O)N(CC(=O)Nc2ccc(OCc3ccccc3)cc2)C1=O
InChIInChI=1S/C25H31N3O4/c1-3-4-5-9-16-25(2)23(30)28(24(31)27-25)17-22(29)26-20-12-14-21(15-13-20)32-18-19-10-7-6-8-11-19/h6-8,10-15H,3-5,9,16-18H2,1-2H3,(H,26,29)(H,27,31)
InChIKeyVGBLGOYMEKCMER-UHFFFAOYSA-N
MW437.54 g/mol
LogP4.49
Rot. Bonds11

About 2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(4-phenylmethoxyphenyl)acetamide

2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(4-phenylmethoxyphenyl)acetamide (PubChem CID 16545038) has the molecular formula C25H31N3O4 and a molecular weight of 437.54 g/mol. Its IUPAC name is 2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(4-phenylmethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(4-phenylmethoxyphenyl)acetamide
PubChem CID16545038
Molecular FormulaC25H31N3O4
Molecular Weight437.54 g/mol
Exact Mass437.23
IUPAC Name2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(4-phenylmethoxyphenyl)acetamide
SMILESCCCCCCC1(C)NC(=O)N(CC(=O)Nc2ccc(OCc3ccccc3)cc2)C1=O
InChIInChI=1S/C25H31N3O4/c1-3-4-5-9-16-25(2)23(30)28(24(31)27-25)17-22(29)26-20-12-14-21(15-13-20)32-18-19-10-7-6-8-11-19/h6-8,10-15H,3-5,9,16-18H2,1-2H3,(H,26,29)(H,27,31)
InChIKeyVGBLGOYMEKCMER-UHFFFAOYSA-N
XLogP4.49
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethoxyphenyl)-2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 4810358
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(4-phenylmethoxyphenyl)acetamide
CID 7182004
N-(4-ethylphenyl)-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 42964408
2-[(4R)-4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 7916875
2-[(4R)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-2-ylacetamide
CID 98230058
2-[(4S)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-2-ylacetamide
CID 98230060
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-phenylmethoxyphenyl)acetamide
CID 4857041
2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(4-phenoxyphenyl)acetamide
CID 17445056
2-[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-phenylmethoxyphenyl)acetamide
CID 41052245
N-(3,4-dichlorophenyl)-2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 3972786
2-[(4S)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 98230070
2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(3-iodophenyl)acetamide
CID 4810361

Frequently Asked Questions

What is the IUPAC name of 2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(4-phenylmethoxyphenyl)acetamide?
The IUPAC name of 2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(4-phenylmethoxyphenyl)acetamide (CID 16545038) is 2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(4-phenylmethoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(4-phenylmethoxyphenyl)acetamide?
The canonical SMILES for 2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(4-phenylmethoxyphenyl)acetamide is CCCCCCC1(C)NC(=O)N(CC(=O)Nc2ccc(OCc3ccccc3)cc2)C1=O.
What is the InChIKey of 2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(4-phenylmethoxyphenyl)acetamide?
The InChIKey is VGBLGOYMEKCMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4/c1-3-4-5-9-16-25(2)23(30)28(24(31)27-25)17-22(29)26-20-12-14-21(15-13-20)32-18-19-10-7-6-8-11-19/h6-8,10-15H,3-5,9,16-18H2,1-2H3,(H,26,29)(H,27,31).
What are the key properties of 2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(4-phenylmethoxyphenyl)acetamide?
2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(4-phenylmethoxyphenyl)acetamide has a molecular weight of 437.54 g/mol, XLogP of 4.49, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(4-phenylmethoxyphenyl)acetamide is sourced from PubChem (CID 16545038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).