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

C30H29F2N3O4 — CID 118956819

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

N-(1-cyclopropylethyl)-N-[[6-(difluoromethoxy)naphthalen-2-yl]methyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide (PubChem CID 118956819) has the molecular formula C30H29F2N3O4 and a molecular weight of 533.58 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-N-[[6-(difluoromethoxy)naphthalen-2-yl]methyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide.

Molecular Properties

• Compound Name: N-(1-cyclopropylethyl)-N-[[6-(difluoromethoxy)naphthalen-2-yl]methyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
• PubChem CID: 118956819
• Molecular Formula: C30H29F2N3O4
• Molecular Weight: 533.58 g/mol
• Exact Mass: 533.21
• IUPAC Name: N-(1-cyclopropylethyl)-N-[[6-(difluoromethoxy)naphthalen-2-yl]methyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
• SMILES: CC(C1CC1)N(Cc1ccc2cc(OC(F)F)ccc2c1)C(=O)CN1C(=O)NC2(CCc3ccccc32)C1=O
• InChI: InChI=1S/C30H29F2N3O4/c1-18(20-8-9-20)34(16-19-6-7-23-15-24(39-28(31)32)11-10-22(23)14-19)26(36)17-35-27(37)30(33-29(35)38)13-12-21-4-2-3-5-25(21)30/h2-7,10-11,14-15,18,20,28H,8-9,12-13,16-17H2,1H3,(H,33,38)
• InChIKey: FDNYEHREUFEAGU-UHFFFAOYSA-N
• XLogP: 4.96
• TPSA: 78.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.58
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	1
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-(1-cyclopropylethyl)-N-[[6-(difluoromethoxy)naphthalen-2-yl]methyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide?

The IUPAC name of N-(1-cyclopropylethyl)-N-[[6-(difluoromethoxy)naphthalen-2-yl]methyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide (CID 118956819) is N-(1-cyclopropylethyl)-N-[[6-(difluoromethoxy)naphthalen-2-yl]methyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide.

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

The canonical SMILES for N-(1-cyclopropylethyl)-N-[[6-(difluoromethoxy)naphthalen-2-yl]methyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide is CC(C1CC1)N(Cc1ccc2cc(OC(F)F)ccc2c1)C(=O)CN1C(=O)NC2(CCc3ccccc32)C1=O.

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

The InChIKey is FDNYEHREUFEAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29F2N3O4/c1-18(20-8-9-20)34(16-19-6-7-23-15-24(39-28(31)32)11-10-22(23)14-19)26(36)17-35-27(37)30(33-29(35)38)13-12-21-4-2-3-5-25(21)30/h2-7,10-11,14-15,18,20,28H,8-9,12-13,16-17H2,1H3,(H,33,38).

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

N-(1-cyclopropylethyl)-N-[[6-(difluoromethoxy)naphthalen-2-yl]methyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide has a molecular weight of 533.58 g/mol, XLogP of 4.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-cyclopropylethyl)-N-[[6-(difluoromethoxy)naphthalen-2-yl]methyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide is sourced from PubChem (CID 118956819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).