N-benzyl-N-(1-cyclopropylethyl)-2-[6-(hydroxymethyl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide

C26H29N3O4 — CID 118957780

About N-benzyl-N-(1-cyclopropylethyl)-2-[6-(hydroxymethyl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide

N-benzyl-N-(1-cyclopropylethyl)-2-[6-(hydroxymethyl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide (PubChem CID 118957780) has the molecular formula C26H29N3O4 and a molecular weight of 447.54 g/mol. Its IUPAC name is N-benzyl-N-(1-cyclopropylethyl)-2-[6-(hydroxymethyl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide.

Molecular Properties

• Compound Name: N-benzyl-N-(1-cyclopropylethyl)-2-[6-(hydroxymethyl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide
• PubChem CID: 118957780
• Molecular Formula: C26H29N3O4
• Molecular Weight: 447.54 g/mol
• Exact Mass: 447.22
• IUPAC Name: N-benzyl-N-(1-cyclopropylethyl)-2-[6-(hydroxymethyl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide
• SMILES: CC(C1CC1)N(Cc1ccccc1)C(=O)CN1C(=O)NC2(CCc3cc(CO)ccc32)C1=O
• InChI: InChI=1S/C26H29N3O4/c1-17(20-8-9-20)28(14-18-5-3-2-4-6-18)23(31)15-29-24(32)26(27-25(29)33)12-11-21-13-19(16-30)7-10-22(21)26/h2-7,10,13,17,20,30H,8-9,11-12,14-16H2,1H3,(H,27,33)
• InChIKey: VYYXMRNGLDORDI-UHFFFAOYSA-N
• XLogP: 2.70
• TPSA: 89.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.54
LogP ≤ 5	2.70
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-benzyl-N-(1-cyclopropylethyl)-2-[6-(hydroxymethyl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide?

The IUPAC name of N-benzyl-N-(1-cyclopropylethyl)-2-[6-(hydroxymethyl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide (CID 118957780) is N-benzyl-N-(1-cyclopropylethyl)-2-[6-(hydroxymethyl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide.

What is the SMILES notation for N-benzyl-N-(1-cyclopropylethyl)-2-[6-(hydroxymethyl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide?

The canonical SMILES for N-benzyl-N-(1-cyclopropylethyl)-2-[6-(hydroxymethyl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide is CC(C1CC1)N(Cc1ccccc1)C(=O)CN1C(=O)NC2(CCc3cc(CO)ccc32)C1=O.

What is the InChIKey of N-benzyl-N-(1-cyclopropylethyl)-2-[6-(hydroxymethyl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide?

The InChIKey is VYYXMRNGLDORDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4/c1-17(20-8-9-20)28(14-18-5-3-2-4-6-18)23(31)15-29-24(32)26(27-25(29)33)12-11-21-13-19(16-30)7-10-22(21)26/h2-7,10,13,17,20,30H,8-9,11-12,14-16H2,1H3,(H,27,33).

What are the key properties of N-benzyl-N-(1-cyclopropylethyl)-2-[6-(hydroxymethyl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide?

N-benzyl-N-(1-cyclopropylethyl)-2-[6-(hydroxymethyl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide has a molecular weight of 447.54 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-N-(1-cyclopropylethyl)-2-[6-(hydroxymethyl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide is sourced from PubChem (CID 118957780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).