2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]propanamide

C20H29N3O4 — CID 46963426

About 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]propanamide

2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]propanamide (PubChem CID 46963426) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]propanamide.

Molecular Properties

• Compound Name: 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]propanamide
• PubChem CID: 46963426
• Molecular Formula: C20H29N3O4
• Molecular Weight: 375.47 g/mol
• Exact Mass: 375.22
• IUPAC Name: 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]propanamide
• SMILES: COc1cc(C)c(CNC(=O)C(C)N2C(=O)NC(C)(C)C2=O)cc1C(C)C
• InChI: InChI=1S/C20H29N3O4/c1-11(2)15-9-14(12(3)8-16(15)27-7)10-21-17(24)13(4)23-18(25)20(5,6)22-19(23)26/h8-9,11,13H,10H2,1-7H3,(H,21,24)(H,22,26)
• InChIKey: DVNQDYDMZIBJSL-UHFFFAOYSA-N
• XLogP: 2.46
• TPSA: 87.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.47
LogP ≤ 5	2.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]propanamide?

The IUPAC name of 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]propanamide (CID 46963426) is 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]propanamide.

What is the SMILES notation for 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]propanamide?

The canonical SMILES for 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]propanamide is COc1cc(C)c(CNC(=O)C(C)N2C(=O)NC(C)(C)C2=O)cc1C(C)C.

What is the InChIKey of 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]propanamide?

The InChIKey is DVNQDYDMZIBJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-11(2)15-9-14(12(3)8-16(15)27-7)10-21-17(24)13(4)23-18(25)20(5,6)22-19(23)26/h8-9,11,13H,10H2,1-7H3,(H,21,24)(H,22,26).

What are the key properties of 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]propanamide?

2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]propanamide has a molecular weight of 375.47 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]propanamide is sourced from PubChem (CID 46963426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).