2-[(4S)-4-(2,5-dimethylfuran-3-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,6-dimethylphenyl)acetamide

C20H23N3O4 — CID 52512606

IUPAC2-[(4S)-4-(2,5-dimethylfuran-3-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cc([C@]2(C)NC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)c(C)o1
InChIInChI=1S/C20H23N3O4/c1-11-7-6-8-12(2)17(11)21-16(24)10-23-18(25)20(5,22-19(23)26)15-9-13(3)27-14(15)4/h6-9H,10H2,1-5H3,(H,21,24)(H,22,26)/t20-/m0/s1
InChIKeyZYQKQMCDPAJQSC-FQEVSTJZSA-N
MW369.42 g/mol
LogP2.92
Rot. Bonds4

About 2-[(4S)-4-(2,5-dimethylfuran-3-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,6-dimethylphenyl)acetamide

2-[(4S)-4-(2,5-dimethylfuran-3-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,6-dimethylphenyl)acetamide (PubChem CID 52512606) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 2-[(4S)-4-(2,5-dimethylfuran-3-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4S)-4-(2,5-dimethylfuran-3-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,6-dimethylphenyl)acetamide
PubChem CID52512606
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name2-[(4S)-4-(2,5-dimethylfuran-3-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cc([C@]2(C)NC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)c(C)o1
InChIInChI=1S/C20H23N3O4/c1-11-7-6-8-12(2)17(11)21-16(24)10-23-18(25)20(5,22-19(23)26)15-9-13(3)27-14(15)4/h6-9H,10H2,1-5H3,(H,21,24)(H,22,26)/t20-/m0/s1
InChIKeyZYQKQMCDPAJQSC-FQEVSTJZSA-N
XLogP2.92
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-(2,5-dimethylfuran-3-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-[(4S)-4-(2,5-dimethylfuran-3-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,6-dimethylphenyl)acetamide (CID 52512606) is 2-[(4S)-4-(2,5-dimethylfuran-3-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[(4S)-4-(2,5-dimethylfuran-3-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-[(4S)-4-(2,5-dimethylfuran-3-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,6-dimethylphenyl)acetamide is Cc1cc([C@]2(C)NC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)c(C)o1.
What is the InChIKey of 2-[(4S)-4-(2,5-dimethylfuran-3-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is ZYQKQMCDPAJQSC-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-11-7-6-8-12(2)17(11)21-16(24)10-23-18(25)20(5,22-19(23)26)15-9-13(3)27-14(15)4/h6-9H,10H2,1-5H3,(H,21,24)(H,22,26)/t20-/m0/s1.
What are the key properties of 2-[(4S)-4-(2,5-dimethylfuran-3-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,6-dimethylphenyl)acetamide?
2-[(4S)-4-(2,5-dimethylfuran-3-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 369.42 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-(2,5-dimethylfuran-3-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 52512606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).