N-(4-ethylphenyl)-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide

C21H31N3O3 — CID 42964408

IUPACN-(4-ethylphenyl)-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCCCCCCCC1(C)NC(=O)N(CC(=O)Nc2ccc(CC)cc2)C1=O
InChIInChI=1S/C21H31N3O3/c1-4-6-7-8-9-14-21(3)19(26)24(20(27)23-21)15-18(25)22-17-12-10-16(5-2)11-13-17/h10-13H,4-9,14-15H2,1-3H3,(H,22,25)(H,23,27)
InChIKeyAGQXIEJCYFOSEN-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.86
Rot. Bonds10

About N-(4-ethylphenyl)-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide

N-(4-ethylphenyl)-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide (PubChem CID 42964408) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
PubChem CID42964408
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC NameN-(4-ethylphenyl)-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCCCCCCCC1(C)NC(=O)N(CC(=O)Nc2ccc(CC)cc2)C1=O
InChIInChI=1S/C21H31N3O3/c1-4-6-7-8-9-14-21(3)19(26)24(20(27)23-21)15-18(25)22-17-12-10-16(5-2)11-13-17/h10-13H,4-9,14-15H2,1-3H3,(H,22,25)(H,23,27)
InChIKeyAGQXIEJCYFOSEN-UHFFFAOYSA-N
XLogP3.86
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(4R)-4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 7916875
N-(3,4-dichlorophenyl)-2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 3972786
2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(4-phenylmethoxyphenyl)acetamide
CID 16545038
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-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(3-iodophenyl)acetamide
CID 4810361
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4S)-4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7916930
2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide
CID 42964405
N-(2-ethyl-6-methylphenyl)-2-[(4R)-4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7639984
N-(2-ethyl-6-methylphenyl)-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 42964419
N-(4-methoxyphenyl)-2-[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8507112

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-(4-ethylphenyl)-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide (CID 42964408) is N-(4-ethylphenyl)-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide is CCCCCCCC1(C)NC(=O)N(CC(=O)Nc2ccc(CC)cc2)C1=O.
What is the InChIKey of N-(4-ethylphenyl)-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The InChIKey is AGQXIEJCYFOSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-4-6-7-8-9-14-21(3)19(26)24(20(27)23-21)15-18(25)22-17-12-10-16(5-2)11-13-17/h10-13H,4-9,14-15H2,1-3H3,(H,22,25)(H,23,27).
What are the key properties of N-(4-ethylphenyl)-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
N-(4-ethylphenyl)-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide has a molecular weight of 373.50 g/mol, XLogP of 3.86, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 42964408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).