N-(2,4-dimethylphenyl)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide

C20H21N3O3 — CID 2429663

IUPACN-(2,4-dimethylphenyl)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)c(C)c1
InChIInChI=1S/C20H21N3O3/c1-13-9-10-16(14(2)11-13)21-17(24)12-23-18(25)20(3,22-19(23)26)15-7-5-4-6-8-15/h4-11H,12H2,1-3H3,(H,21,24)(H,22,26)/t20-/m0/s1
InChIKeyWGZVKTBQTCASFE-FQEVSTJZSA-N
MW351.41 g/mol
LogP2.71
Rot. Bonds4

About N-(2,4-dimethylphenyl)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide

N-(2,4-dimethylphenyl)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide (PubChem CID 2429663) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
PubChem CID2429663
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-(2,4-dimethylphenyl)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)c(C)c1
InChIInChI=1S/C20H21N3O3/c1-13-9-10-16(14(2)11-13)21-17(24)12-23-18(25)20(3,22-19(23)26)15-7-5-4-6-8-15/h4-11H,12H2,1-3H3,(H,21,24)(H,22,26)/t20-/m0/s1
InChIKeyWGZVKTBQTCASFE-FQEVSTJZSA-N
XLogP2.71
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.71
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-(4-fluoro-2-methylphenyl)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 8865016
N-(4-fluoro-2-methylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 8865010
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2,4-dimethylphenyl)acetamide
CID 7182030
2-[(4S)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,4-dimethylphenyl)acetamide
CID 7181446
N-(2,3-dimethylphenyl)-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 17438209
N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2504049
N-(2-iodophenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2636303
N-(2-bromophenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2581057
N-(4-chloro-2-fluorophenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2580817
2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 2463493
N-(2,4-dimethylphenyl)-2-[(3S)-3-hydroxy-2-oxo-3-phenylindol-1-yl]acetamide
CID 95095499
2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-iodo-2-methylphenyl)acetamide
CID 46512801

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide (CID 2429663) is N-(2,4-dimethylphenyl)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide is Cc1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
The InChIKey is WGZVKTBQTCASFE-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-13-9-10-16(14(2)11-13)21-17(24)12-23-18(25)20(3,22-19(23)26)15-7-5-4-6-8-15/h4-11H,12H2,1-3H3,(H,21,24)(H,22,26)/t20-/m0/s1.
What are the key properties of N-(2,4-dimethylphenyl)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
N-(2,4-dimethylphenyl)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide has a molecular weight of 351.41 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide is sourced from PubChem (CID 2429663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).