N-[(4-fluorophenyl)methyl]-2,2-dimethyl-N-[2-[(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)amino]-2-oxoethyl]propanamide

C26H29FN4O4 — CID 45485654

About N-[(4-fluorophenyl)methyl]-2,2-dimethyl-N-[2-[(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)amino]-2-oxoethyl]propanamide

N-[(4-fluorophenyl)methyl]-2,2-dimethyl-N-[2-[(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)amino]-2-oxoethyl]propanamide (PubChem CID 45485654) has the molecular formula C26H29FN4O4 and a molecular weight of 480.54 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2,2-dimethyl-N-[2-[(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)amino]-2-oxoethyl]propanamide.

Molecular Properties

• Compound Name: N-[(4-fluorophenyl)methyl]-2,2-dimethyl-N-[2-[(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)amino]-2-oxoethyl]propanamide
• PubChem CID: 45485654
• Molecular Formula: C26H29FN4O4
• Molecular Weight: 480.54 g/mol
• Exact Mass: 480.22
• IUPAC Name: N-[(4-fluorophenyl)methyl]-2,2-dimethyl-N-[2-[(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)amino]-2-oxoethyl]propanamide
• SMILES: CN1C(=O)NC(=O)C12Cc1ccc(NC(=O)CN(Cc3ccc(F)cc3)C(=O)C(C)(C)C)cc1C2
• InChI: InChI=1S/C26H29FN4O4/c1-25(2,3)23(34)31(14-16-5-8-19(27)9-6-16)15-21(32)28-20-10-7-17-12-26(13-18(17)11-20)22(33)29-24(35)30(26)4/h5-11H,12-15H2,1-4H3,(H,28,32)(H,29,33,35)
• InChIKey: ZXDVAQKOPNOMPN-UHFFFAOYSA-N
• XLogP: 2.86
• TPSA: 98.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.54
LogP ≤ 5	2.86
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 N-[(4-fluorophenyl)methyl]-2,2-dimethyl-N-[2-[(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)amino]-2-oxoethyl]propanamide?

The IUPAC name of N-[(4-fluorophenyl)methyl]-2,2-dimethyl-N-[2-[(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)amino]-2-oxoethyl]propanamide (CID 45485654) is N-[(4-fluorophenyl)methyl]-2,2-dimethyl-N-[2-[(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)amino]-2-oxoethyl]propanamide.

What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2,2-dimethyl-N-[2-[(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)amino]-2-oxoethyl]propanamide?

The canonical SMILES for N-[(4-fluorophenyl)methyl]-2,2-dimethyl-N-[2-[(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)amino]-2-oxoethyl]propanamide is CN1C(=O)NC(=O)C12Cc1ccc(NC(=O)CN(Cc3ccc(F)cc3)C(=O)C(C)(C)C)cc1C2.

What is the InChIKey of N-[(4-fluorophenyl)methyl]-2,2-dimethyl-N-[2-[(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)amino]-2-oxoethyl]propanamide?

The InChIKey is ZXDVAQKOPNOMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O4/c1-25(2,3)23(34)31(14-16-5-8-19(27)9-6-16)15-21(32)28-20-10-7-17-12-26(13-18(17)11-20)22(33)29-24(35)30(26)4/h5-11H,12-15H2,1-4H3,(H,28,32)(H,29,33,35).

What are the key properties of N-[(4-fluorophenyl)methyl]-2,2-dimethyl-N-[2-[(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)amino]-2-oxoethyl]propanamide?

N-[(4-fluorophenyl)methyl]-2,2-dimethyl-N-[2-[(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)amino]-2-oxoethyl]propanamide has a molecular weight of 480.54 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-fluorophenyl)methyl]-2,2-dimethyl-N-[2-[(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)amino]-2-oxoethyl]propanamide is sourced from PubChem (CID 45485654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).