N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]acetamide

C24H29N5O3 — CID 40798319

About N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]acetamide

N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]acetamide (PubChem CID 40798319) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]acetamide.

Molecular Properties

• Compound Name: N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]acetamide
• PubChem CID: 40798319
• Molecular Formula: C24H29N5O3
• Molecular Weight: 435.53 g/mol
• Exact Mass: 435.23
• IUPAC Name: N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]acetamide
• SMILES: CN(CC(=O)NN1C(=O)N[C@](C)(c2ccccc2)C1=O)Cc1ccccc1N1CCCC1
• InChI: InChI=1S/C24H29N5O3/c1-24(19-11-4-3-5-12-19)22(31)29(23(32)25-24)26-21(30)17-27(2)16-18-10-6-7-13-20(18)28-14-8-9-15-28/h3-7,10-13H,8-9,14-17H2,1-2H3,(H,25,32)(H,26,30)/t24-/m1/s1
• InChIKey: SQXPCXPVEAAJBR-XMMPIXPASA-N
• XLogP: 2.22
• TPSA: 84.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.53
LogP ≤ 5	2.22
H-Bond Donors ≤ 5	2
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 N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]acetamide?

The IUPAC name of N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]acetamide (CID 40798319) is N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]acetamide.

What is the SMILES notation for N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]acetamide?

The canonical SMILES for N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]acetamide is CN(CC(=O)NN1C(=O)N[C@](C)(c2ccccc2)C1=O)Cc1ccccc1N1CCCC1.

What is the InChIKey of N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]acetamide?

The InChIKey is SQXPCXPVEAAJBR-XMMPIXPASA-N. The full InChI is InChI=1S/C24H29N5O3/c1-24(19-11-4-3-5-12-19)22(31)29(23(32)25-24)26-21(30)17-27(2)16-18-10-6-7-13-20(18)28-14-8-9-15-28/h3-7,10-13H,8-9,14-17H2,1-2H3,(H,25,32)(H,26,30)/t24-/m1/s1.

What are the key properties of N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]acetamide?

N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]acetamide has a molecular weight of 435.53 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]acetamide is sourced from PubChem (CID 40798319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).