N-(2-ethyl-6-methylphenyl)-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide

C22H33N3O3 — CID 42964419

IUPACN-(2-ethyl-6-methylphenyl)-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCCCCCCCC1(C)NC(=O)N(CC(=O)Nc2c(C)cccc2CC)C1=O
InChIInChI=1S/C22H33N3O3/c1-5-7-8-9-10-14-22(4)20(27)25(21(28)24-22)15-18(26)23-19-16(3)12-11-13-17(19)6-2/h11-13H,5-10,14-15H2,1-4H3,(H,23,26)(H,24,28)
InChIKeyBEJIQZHIKVTYRE-UHFFFAOYSA-N
MW387.52 g/mol
LogP4.17
Rot. Bonds10

About N-(2-ethyl-6-methylphenyl)-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide

N-(2-ethyl-6-methylphenyl)-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide (PubChem CID 42964419) has the molecular formula C22H33N3O3 and a molecular weight of 387.52 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
PubChem CID42964419
Molecular FormulaC22H33N3O3
Molecular Weight387.52 g/mol
Exact Mass387.25
IUPAC NameN-(2-ethyl-6-methylphenyl)-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCCCCCCCC1(C)NC(=O)N(CC(=O)Nc2c(C)cccc2CC)C1=O
InChIInChI=1S/C22H33N3O3/c1-5-7-8-9-10-14-22(4)20(27)25(21(28)24-22)15-18(26)23-19-16(3)12-11-13-17(19)6-2/h11-13H,5-10,14-15H2,1-4H3,(H,23,26)(H,24,28)
InChIKeyBEJIQZHIKVTYRE-UHFFFAOYSA-N
XLogP4.17
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 54.17
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'}

Analyze N-(2-ethyl-6-methylphenyl)-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7565952
N-(2,6-diethylphenyl)-2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4804642
2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide
CID 42964405
N-(4-ethylphenyl)-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 42964408
2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(3-iodophenyl)acetamide
CID 4810361
N-(2-ethyl-6-methylphenyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 16548422
2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 40790885
2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 42989173
2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 7962210
2-[(4S)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 98230070
2-[(4R)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-2-ylacetamide
CID 98230058

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide (CID 42964419) is N-(2-ethyl-6-methylphenyl)-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide is CCCCCCCC1(C)NC(=O)N(CC(=O)Nc2c(C)cccc2CC)C1=O.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The InChIKey is BEJIQZHIKVTYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O3/c1-5-7-8-9-10-14-22(4)20(27)25(21(28)24-22)15-18(26)23-19-16(3)12-11-13-17(19)6-2/h11-13H,5-10,14-15H2,1-4H3,(H,23,26)(H,24,28).
What are the key properties of N-(2-ethyl-6-methylphenyl)-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
N-(2-ethyl-6-methylphenyl)-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide has a molecular weight of 387.52 g/mol, XLogP of 4.17, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 42964419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).