2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide

C20H27N3O4 — CID 41249583

IUPAC2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCC(C)c1ccc([C@]2(C)NC(=O)N(CC(=O)NC[C@@H]3CCCO3)C2=O)cc1
InChIInChI=1S/C20H27N3O4/c1-13(2)14-6-8-15(9-7-14)20(3)18(25)23(19(26)22-20)12-17(24)21-11-16-5-4-10-27-16/h6-9,13,16H,4-5,10-12H2,1-3H3,(H,21,24)(H,22,26)/t16-,20-/m0/s1
InChIKeyFLXXXWYLIRGCCV-JXFKEZNVSA-N
MW373.45 g/mol
LogP1.87
Rot. Bonds6

About 2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide

2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide (PubChem CID 41249583) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is 2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
PubChem CID41249583
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Name2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCC(C)c1ccc([C@]2(C)NC(=O)N(CC(=O)NC[C@@H]3CCCO3)C2=O)cc1
InChIInChI=1S/C20H27N3O4/c1-13(2)14-6-8-15(9-7-14)20(3)18(25)23(19(26)22-20)12-17(24)21-11-16-5-4-10-27-16/h6-9,13,16H,4-5,10-12H2,1-3H3,(H,21,24)(H,22,26)/t16-,20-/m0/s1
InChIKeyFLXXXWYLIRGCCV-JXFKEZNVSA-N
XLogP1.87
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclohexylmethyl)-2-[(4R)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 40706070
(5S)-5-methyl-3-[[(2R)-oxolan-2-yl]methyl]-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 8643587
(5S)-5-methyl-3-[[(2S)-oxolan-2-yl]methyl]-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 8643575
N-[(1R)-1-cyclopropylethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 8625386
N-ethyl-2-[[2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetyl]amino]acetamide
CID 8625287
N-(cyclopentylcarbamoyl)-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 7802553
2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetic acid
CID 30054775
(5R)-3-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 7802502
2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(cyclohexylmethyl)acetamide
CID 2577259
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 124723066
3-[2-(azetidin-1-yl)-2-oxoethyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 43071602
N-[(2S)-3-methylbutan-2-yl]-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 7802579

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide (CID 41249583) is 2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide is CC(C)c1ccc([C@]2(C)NC(=O)N(CC(=O)NC[C@@H]3CCCO3)C2=O)cc1.
What is the InChIKey of 2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The InChIKey is FLXXXWYLIRGCCV-JXFKEZNVSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-13(2)14-6-8-15(9-7-14)20(3)18(25)23(19(26)22-20)12-17(24)21-11-16-5-4-10-27-16/h6-9,13,16H,4-5,10-12H2,1-3H3,(H,21,24)(H,22,26)/t16-,20-/m0/s1.
What are the key properties of 2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide has a molecular weight of 373.45 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 41249583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).