N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide

C28H32N6O6 — CID 24983201

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide (PubChem CID 24983201) has the molecular formula C28H32N6O6 and a molecular weight of 548.60 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide.

Molecular Properties

• Compound Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
• PubChem CID: 24983201
• Molecular Formula: C28H32N6O6
• Molecular Weight: 548.60 g/mol
• Exact Mass: 548.24
• IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
• SMILES: CCCCn1c(N)c(N(Cc2ccccc2OC)C(=O)CN2C(=O)NC(C)(c3ccccc3)C2=O)c(=O)[nH]c1=O
• InChI: InChI=1S/C28H32N6O6/c1-4-5-15-32-23(29)22(24(36)30-26(32)38)33(16-18-11-9-10-14-20(18)40-3)21(35)17-34-25(37)28(2,31-27(34)39)19-12-7-6-8-13-19/h6-14H,4-5,15-17,29H2,1-3H3,(H,31,39)(H,30,36,38)
• InChIKey: PWBKWRNECWSDEH-UHFFFAOYSA-N
• XLogP: 1.93
• TPSA: 159.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	548.60
LogP ≤ 5	1.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?

The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide (CID 24983201) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide.

What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?

The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide is CCCCn1c(N)c(N(Cc2ccccc2OC)C(=O)CN2C(=O)NC(C)(c3ccccc3)C2=O)c(=O)[nH]c1=O.

What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?

The InChIKey is PWBKWRNECWSDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O6/c1-4-5-15-32-23(29)22(24(36)30-26(32)38)33(16-18-11-9-10-14-20(18)40-3)21(35)17-34-25(37)28(2,31-27(34)39)19-12-7-6-8-13-19/h6-14H,4-5,15-17,29H2,1-3H3,(H,31,39)(H,30,36,38).

What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide has a molecular weight of 548.60 g/mol, XLogP of 1.93, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 24983201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).