N-[(4-bromophenyl)methyl]-N-(1-cyclopropylethyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide

C25H26BrN3O3 — CID 118958027

About N-[(4-bromophenyl)methyl]-N-(1-cyclopropylethyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide

N-[(4-bromophenyl)methyl]-N-(1-cyclopropylethyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide (PubChem CID 118958027) has the molecular formula C25H26BrN3O3 and a molecular weight of 496.41 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-N-(1-cyclopropylethyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide.

Molecular Properties

• Compound Name: N-[(4-bromophenyl)methyl]-N-(1-cyclopropylethyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
• PubChem CID: 118958027
• Molecular Formula: C25H26BrN3O3
• Molecular Weight: 496.41 g/mol
• Exact Mass: 495.12
• IUPAC Name: N-[(4-bromophenyl)methyl]-N-(1-cyclopropylethyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
• SMILES: CC(C1CC1)N(Cc1ccc(Br)cc1)C(=O)CN1C(=O)NC2(CCc3ccccc32)C1=O
• InChI: InChI=1S/C25H26BrN3O3/c1-16(18-8-9-18)28(14-17-6-10-20(26)11-7-17)22(30)15-29-23(31)25(27-24(29)32)13-12-19-4-2-3-5-21(19)25/h2-7,10-11,16,18H,8-9,12-15H2,1H3,(H,27,32)
• InChIKey: HNWSNIOHQKBFSK-UHFFFAOYSA-N
• XLogP: 3.97
• TPSA: 69.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.41
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-N-(1-cyclopropylethyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide?

The IUPAC name of N-[(4-bromophenyl)methyl]-N-(1-cyclopropylethyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide (CID 118958027) is N-[(4-bromophenyl)methyl]-N-(1-cyclopropylethyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide.

What is the SMILES notation for N-[(4-bromophenyl)methyl]-N-(1-cyclopropylethyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide?

The canonical SMILES for N-[(4-bromophenyl)methyl]-N-(1-cyclopropylethyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide is CC(C1CC1)N(Cc1ccc(Br)cc1)C(=O)CN1C(=O)NC2(CCc3ccccc32)C1=O.

What is the InChIKey of N-[(4-bromophenyl)methyl]-N-(1-cyclopropylethyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide?

The InChIKey is HNWSNIOHQKBFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26BrN3O3/c1-16(18-8-9-18)28(14-17-6-10-20(26)11-7-17)22(30)15-29-23(31)25(27-24(29)32)13-12-19-4-2-3-5-21(19)25/h2-7,10-11,16,18H,8-9,12-15H2,1H3,(H,27,32).

What are the key properties of N-[(4-bromophenyl)methyl]-N-(1-cyclopropylethyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide?

N-[(4-bromophenyl)methyl]-N-(1-cyclopropylethyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide has a molecular weight of 496.41 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-bromophenyl)methyl]-N-(1-cyclopropylethyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide is sourced from PubChem (CID 118958027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).