2-[(4R)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-2-ylacetamide

C23H29N3O3 — CID 98230058

IUPAC2-[(4R)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-2-ylacetamide
SMILESCCCCCCC[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc3ccccc3c2)C1=O
InChIInChI=1S/C23H29N3O3/c1-3-4-5-6-9-14-23(2)21(28)26(22(29)25-23)16-20(27)24-19-13-12-17-10-7-8-11-18(17)15-19/h7-8,10-13,15H,3-6,9,14,16H2,1-2H3,(H,24,27)(H,25,29)/t23-/m1/s1
InChIKeyMHIWZRXIAZCFPK-HSZRJFAPSA-N
MW395.50 g/mol
LogP4.45
Rot. Bonds9

About 2-[(4R)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-2-ylacetamide

2-[(4R)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-2-ylacetamide (PubChem CID 98230058) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 2-[(4R)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-2-ylacetamide.

Molecular Properties

Compound Name2-[(4R)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-2-ylacetamide
PubChem CID98230058
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name2-[(4R)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-2-ylacetamide
SMILESCCCCCCC[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc3ccccc3c2)C1=O
InChIInChI=1S/C23H29N3O3/c1-3-4-5-6-9-14-23(2)21(28)26(22(29)25-23)16-20(27)24-19-13-12-17-10-7-8-11-18(17)15-19/h7-8,10-13,15H,3-6,9,14,16H2,1-2H3,(H,24,27)(H,25,29)/t23-/m1/s1
InChIKeyMHIWZRXIAZCFPK-HSZRJFAPSA-N
XLogP4.45
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.45
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

2-[(4S)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-2-ylacetamide
CID 98230060
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-(3-iodophenyl)acetamide
CID 4810361
N-(4-ethylphenyl)-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 42964408
N-(4-ethoxyphenyl)-2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 4810358
2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(4-phenylmethoxyphenyl)acetamide
CID 16545038
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4S)-4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7916930
2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-naphthalen-2-ylacetamide
CID 2580694
2-[(4R)-4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 7916875
2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-2-ylacetamide
CID 7566638
2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide
CID 42964405
2-[(4S)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 98230070

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-2-ylacetamide?
The IUPAC name of 2-[(4R)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-2-ylacetamide (CID 98230058) is 2-[(4R)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-2-ylacetamide.
What is the SMILES notation for 2-[(4R)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-2-ylacetamide?
The canonical SMILES for 2-[(4R)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-2-ylacetamide is CCCCCCC[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc3ccccc3c2)C1=O.
What is the InChIKey of 2-[(4R)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-2-ylacetamide?
The InChIKey is MHIWZRXIAZCFPK-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-3-4-5-6-9-14-23(2)21(28)26(22(29)25-23)16-20(27)24-19-13-12-17-10-7-8-11-18(17)15-19/h7-8,10-13,15H,3-6,9,14,16H2,1-2H3,(H,24,27)(H,25,29)/t23-/m1/s1.
What are the key properties of 2-[(4R)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-2-ylacetamide?
2-[(4R)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-2-ylacetamide has a molecular weight of 395.50 g/mol, XLogP of 4.45, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-2-ylacetamide is sourced from PubChem (CID 98230058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).