2-[(4R)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide

C17H27N5O3 — CID 124752517

About 2-[(4R)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide

2-[(4R)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide (PubChem CID 124752517) has the molecular formula C17H27N5O3 and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-[(4R)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-[(4R)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide
• PubChem CID: 124752517
• Molecular Formula: C17H27N5O3
• Molecular Weight: 349.44 g/mol
• Exact Mass: 349.21
• IUPAC Name: 2-[(4R)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide
• SMILES: CCCN1C(=O)N[C@H](CC(=O)N(Cc2cnn(C)c2)CC(C)C)C1=O
• InChI: InChI=1S/C17H27N5O3/c1-5-6-22-16(24)14(19-17(22)25)7-15(23)21(9-12(2)3)11-13-8-18-20(4)10-13/h8,10,12,14H,5-7,9,11H2,1-4H3,(H,19,25)/t14-/m1/s1
• InChIKey: JPQRIMCUECAQNQ-CQSZACIVSA-N
• XLogP: 1.13
• TPSA: 87.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	349.44
LogP ≤ 5	1.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide?

The IUPAC name of 2-[(4R)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide (CID 124752517) is 2-[(4R)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide.

What is the SMILES notation for 2-[(4R)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide?

The canonical SMILES for 2-[(4R)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide is CCCN1C(=O)N[C@H](CC(=O)N(Cc2cnn(C)c2)CC(C)C)C1=O.

What is the InChIKey of 2-[(4R)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide?

The InChIKey is JPQRIMCUECAQNQ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H27N5O3/c1-5-6-22-16(24)14(19-17(22)25)7-15(23)21(9-12(2)3)11-13-8-18-20(4)10-13/h8,10,12,14H,5-7,9,11H2,1-4H3,(H,19,25)/t14-/m1/s1.

What are the key properties of 2-[(4R)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide?

2-[(4R)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide has a molecular weight of 349.44 g/mol, XLogP of 1.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4R)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 124752517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).