cycloheptyl 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate

C20H26N2O4 — CID 97005692

IUPACcycloheptyl 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate
SMILESCc1ccc([C@@]2(C)NC(=O)N(CC(=O)OC3CCCCCC3)C2=O)cc1
InChIInChI=1S/C20H26N2O4/c1-14-9-11-15(12-10-14)20(2)18(24)22(19(25)21-20)13-17(23)26-16-7-5-3-4-6-8-16/h9-12,16H,3-8,13H2,1-2H3,(H,21,25)/t20-/m1/s1
InChIKeyYFIRGFFIJFISIH-HXUWFJFHSA-N
MW358.44 g/mol
LogP3.03
Rot. Bonds4

About cycloheptyl 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate

cycloheptyl 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate (PubChem CID 97005692) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is cycloheptyl 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate.

Molecular Properties

Compound Namecycloheptyl 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate
PubChem CID97005692
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Namecycloheptyl 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate
SMILESCc1ccc([C@@]2(C)NC(=O)N(CC(=O)OC3CCCCCC3)C2=O)cc1
InChIInChI=1S/C20H26N2O4/c1-14-9-11-15(12-10-14)20(2)18(24)22(19(25)21-20)13-17(23)26-16-7-5-3-4-6-8-16/h9-12,16H,3-8,13H2,1-2H3,(H,21,25)/t20-/m1/s1
InChIKeyYFIRGFFIJFISIH-HXUWFJFHSA-N
XLogP3.03
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(3R)-2-oxooxolan-3-yl] 2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 7710915
[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 8572471
N,N-dicyclohexyl-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 42964935
N-cyclopentyl-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2582043
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 7710156
(4-fluorophenyl)methyl 2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 84603716
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 7709979
(1-ethylpiperidin-3-yl) 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 55331136
(5R)-3-[2-(1-adamantyl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 7242527
[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 7710954
(5S)-5-methyl-5-(4-methylphenyl)-3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 7178929
N-cyclooctyl-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51250040

Frequently Asked Questions

What is the IUPAC name of cycloheptyl 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate?
The IUPAC name of cycloheptyl 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate (CID 97005692) is cycloheptyl 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate.
What is the SMILES notation for cycloheptyl 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate?
The canonical SMILES for cycloheptyl 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate is Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)OC3CCCCCC3)C2=O)cc1.
What is the InChIKey of cycloheptyl 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate?
The InChIKey is YFIRGFFIJFISIH-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-14-9-11-15(12-10-14)20(2)18(24)22(19(25)21-20)13-17(23)26-16-7-5-3-4-6-8-16/h9-12,16H,3-8,13H2,1-2H3,(H,21,25)/t20-/m1/s1.
What are the key properties of cycloheptyl 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate?
cycloheptyl 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate has a molecular weight of 358.44 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate is sourced from PubChem (CID 97005692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).