N-(cyclohexen-1-yl)-N-cyclopropyl-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide

C23H27N3O3 — CID 17419101

About N-(cyclohexen-1-yl)-N-cyclopropyl-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide

N-(cyclohexen-1-yl)-N-cyclopropyl-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide (PubChem CID 17419101) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-(cyclohexen-1-yl)-N-cyclopropyl-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide.

Molecular Properties

• Compound Name: N-(cyclohexen-1-yl)-N-cyclopropyl-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide
• PubChem CID: 17419101
• Molecular Formula: C23H27N3O3
• Molecular Weight: 393.49 g/mol
• Exact Mass: 393.21
• IUPAC Name: N-(cyclohexen-1-yl)-N-cyclopropyl-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide
• SMILES: O=C1NC2(CCCc3ccccc32)C(=O)N1CC(=O)N(C1=CCCCC1)C1CC1
• InChI: InChI=1S/C23H27N3O3/c27-20(26(18-12-13-18)17-9-2-1-3-10-17)15-25-21(28)23(24-22(25)29)14-6-8-16-7-4-5-11-19(16)23/h4-5,7,9,11,18H,1-3,6,8,10,12-15H2,(H,24,29)
• InChIKey: JRFDMXMPJCJPGC-UHFFFAOYSA-N
• XLogP: 3.22
• TPSA: 69.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.49
LogP ≤ 5	3.22
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-(cyclohexen-1-yl)-N-cyclopropyl-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide?

The IUPAC name of N-(cyclohexen-1-yl)-N-cyclopropyl-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide (CID 17419101) is N-(cyclohexen-1-yl)-N-cyclopropyl-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide.

What is the SMILES notation for N-(cyclohexen-1-yl)-N-cyclopropyl-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide?

The canonical SMILES for N-(cyclohexen-1-yl)-N-cyclopropyl-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide is O=C1NC2(CCCc3ccccc32)C(=O)N1CC(=O)N(C1=CCCCC1)C1CC1.

What is the InChIKey of N-(cyclohexen-1-yl)-N-cyclopropyl-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide?

The InChIKey is JRFDMXMPJCJPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c27-20(26(18-12-13-18)17-9-2-1-3-10-17)15-25-21(28)23(24-22(25)29)14-6-8-16-7-4-5-11-19(16)23/h4-5,7,9,11,18H,1-3,6,8,10,12-15H2,(H,24,29).

What are the key properties of N-(cyclohexen-1-yl)-N-cyclopropyl-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide?

N-(cyclohexen-1-yl)-N-cyclopropyl-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide has a molecular weight of 393.49 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(cyclohexen-1-yl)-N-cyclopropyl-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide is sourced from PubChem (CID 17419101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).