N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide

C23H35N3O3 — CID 24605788

IUPACN-[1-(3,4-dimethylphenyl)ethyl]-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCCCCCCCC1(C)NC(=O)N(CC(=O)NC(C)c2ccc(C)c(C)c2)C1=O
InChIInChI=1S/C23H35N3O3/c1-6-7-8-9-10-13-23(5)21(28)26(22(29)25-23)15-20(27)24-18(4)19-12-11-16(2)17(3)14-19/h11-12,14,18H,6-10,13,15H2,1-5H3,(H,24,27)(H,25,29)
InChIKeyGTBVCLBORYJFJA-UHFFFAOYSA-N
MW401.55 g/mol
LogP4.15
Rot. Bonds10

About N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide

N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide (PubChem CID 24605788) has the molecular formula C23H35N3O3 and a molecular weight of 401.55 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)ethyl]-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
PubChem CID24605788
Molecular FormulaC23H35N3O3
Molecular Weight401.55 g/mol
Exact Mass401.27
IUPAC NameN-[1-(3,4-dimethylphenyl)ethyl]-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCCCCCCCC1(C)NC(=O)N(CC(=O)NC(C)c2ccc(C)c(C)c2)C1=O
InChIInChI=1S/C23H35N3O3/c1-6-7-8-9-10-13-23(5)21(28)26(22(29)25-23)15-20(27)24-18(4)19-12-11-16(2)17(3)14-19/h11-12,14,18H,6-10,13,15H2,1-5H3,(H,24,27)(H,25,29)
InChIKeyGTBVCLBORYJFJA-UHFFFAOYSA-N
XLogP4.15
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.55
LogP ≤ 54.15
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-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 7596132
N-[1-(furan-2-yl)ethyl]-2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 102604049
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 26017425
2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[1-(3,4-dimethylphenyl)ethyl]acetamide
CID 42988079
2-[(4R)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 7562137
2-[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 7562140
N-[1-(3-chlorophenyl)ethyl]-2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4825264
N-(2-ethyl-6-methylphenyl)-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 42964419
N-(2-ethyl-6-methylphenyl)-2-[(4R)-4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7639984
2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 43031509
N-(3,4-dimethylphenyl)-2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4804618
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
CID 7168298

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide (CID 24605788) is N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide is CCCCCCCC1(C)NC(=O)N(CC(=O)NC(C)c2ccc(C)c(C)c2)C1=O.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The InChIKey is GTBVCLBORYJFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O3/c1-6-7-8-9-10-13-23(5)21(28)26(22(29)25-23)15-20(27)24-18(4)19-12-11-16(2)17(3)14-19/h11-12,14,18H,6-10,13,15H2,1-5H3,(H,24,27)(H,25,29).
What are the key properties of N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide has a molecular weight of 401.55 g/mol, XLogP of 4.15, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 24605788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).