2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclooctylacetamide

C20H26ClN3O3 — CID 2705918

IUPAC2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclooctylacetamide
SMILESC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)NC2CCCCCCC2)C1=O
InChIInChI=1S/C20H26ClN3O3/c1-20(14-9-11-15(21)12-10-14)18(26)24(19(27)23-20)13-17(25)22-16-7-5-3-2-4-6-8-16/h9-12,16H,2-8,13H2,1H3,(H,22,25)(H,23,27)/t20-/m0/s1
InChIKeyBICJKQKCEXAQEZ-FQEVSTJZSA-N
MW391.90 g/mol
LogP3.34
Rot. Bonds4

About 2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclooctylacetamide

2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclooctylacetamide (PubChem CID 2705918) has the molecular formula C20H26ClN3O3 and a molecular weight of 391.90 g/mol. Its IUPAC name is 2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclooctylacetamide.

Molecular Properties

Compound Name2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclooctylacetamide
PubChem CID2705918
Molecular FormulaC20H26ClN3O3
Molecular Weight391.90 g/mol
Exact Mass391.17
IUPAC Name2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclooctylacetamide
SMILESC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)NC2CCCCCCC2)C1=O
InChIInChI=1S/C20H26ClN3O3/c1-20(14-9-11-15(21)12-10-14)18(26)24(19(27)23-20)13-17(25)22-16-7-5-3-2-4-6-8-16/h9-12,16H,2-8,13H2,1H3,(H,22,25)(H,23,27)/t20-/m0/s1
InChIKeyBICJKQKCEXAQEZ-FQEVSTJZSA-N
XLogP3.34
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.90
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

N-cyclooctyl-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51250040
N-cyclopentyl-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2582043
N-cyclohexyl-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2580985
2-[4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cycloheptylacetamide
CID 51139022
N-cyclopentyl-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2580741
2-[(4R)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-cyclooctylacetamide
CID 2584765
2-[(4R)-4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclohexylacetamide
CID 29156541
2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(cyclohexylmethyl)acetamide
CID 2577259
2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 3392202
2-[(4R)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclopentylacetamide
CID 2711182
N-cyclopentyl-2-[(4R)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2584997
N-cyclohexyl-2-[(4S)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 94815011

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclooctylacetamide?
The IUPAC name of 2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclooctylacetamide (CID 2705918) is 2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclooctylacetamide.
What is the SMILES notation for 2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclooctylacetamide?
The canonical SMILES for 2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclooctylacetamide is C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)NC2CCCCCCC2)C1=O.
What is the InChIKey of 2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclooctylacetamide?
The InChIKey is BICJKQKCEXAQEZ-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H26ClN3O3/c1-20(14-9-11-15(21)12-10-14)18(26)24(19(27)23-20)13-17(25)22-16-7-5-3-2-4-6-8-16/h9-12,16H,2-8,13H2,1H3,(H,22,25)(H,23,27)/t20-/m0/s1.
What are the key properties of 2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclooctylacetamide?
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclooctylacetamide has a molecular weight of 391.90 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclooctylacetamide is sourced from PubChem (CID 2705918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).