N-(2-ethyl-6-methylphenyl)-2-[(4R)-4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

C21H31N3O3 — CID 7639984

IUPACN-(2-ethyl-6-methylphenyl)-2-[(4R)-4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCCCCCC[C@@]1(C)NC(=O)N(CC(=O)Nc2c(C)cccc2CC)C1=O
InChIInChI=1S/C21H31N3O3/c1-5-7-8-9-13-21(4)19(26)24(20(27)23-21)14-17(25)22-18-15(3)11-10-12-16(18)6-2/h10-12H,5-9,13-14H2,1-4H3,(H,22,25)(H,23,27)/t21-/m1/s1
InChIKeyYPIPLPPAWCNYEK-OAQYLSRUSA-N
MW373.50 g/mol
LogP3.78
Rot. Bonds9

About N-(2-ethyl-6-methylphenyl)-2-[(4R)-4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

N-(2-ethyl-6-methylphenyl)-2-[(4R)-4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 7639984) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-2-[(4R)-4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-2-[(4R)-4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID7639984
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC NameN-(2-ethyl-6-methylphenyl)-2-[(4R)-4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCCCCCC[C@@]1(C)NC(=O)N(CC(=O)Nc2c(C)cccc2CC)C1=O
InChIInChI=1S/C21H31N3O3/c1-5-7-8-9-13-21(4)19(26)24(20(27)23-21)14-17(25)22-18-15(3)11-10-12-16(18)6-2/h10-12H,5-9,13-14H2,1-4H3,(H,22,25)(H,23,27)/t21-/m1/s1
InChIKeyYPIPLPPAWCNYEK-OAQYLSRUSA-N
XLogP3.78
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.78
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-(2-ethyl-6-methylphenyl)-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 42964419
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-[(4R)-4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-2-[(4R)-4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 7639984) is N-(2-ethyl-6-methylphenyl)-2-[(4R)-4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-2-[(4R)-4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-2-[(4R)-4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is CCCCCC[C@@]1(C)NC(=O)N(CC(=O)Nc2c(C)cccc2CC)C1=O.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-2-[(4R)-4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is YPIPLPPAWCNYEK-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-5-7-8-9-13-21(4)19(26)24(20(27)23-21)14-17(25)22-18-15(3)11-10-12-16(18)6-2/h10-12H,5-9,13-14H2,1-4H3,(H,22,25)(H,23,27)/t21-/m1/s1.
What are the key properties of N-(2-ethyl-6-methylphenyl)-2-[(4R)-4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
N-(2-ethyl-6-methylphenyl)-2-[(4R)-4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 373.50 g/mol, XLogP of 3.78, 9 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-[(4R)-4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 7639984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).