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

C22H23N3O4 — CID 2706117

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

2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 2706117) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[(4-methoxyphenyl)methyl]acetamide
• PubChem CID: 2706117
• Molecular Formula: C22H23N3O4
• Molecular Weight: 393.44 g/mol
• Exact Mass: 393.17
• IUPAC Name: 2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[(4-methoxyphenyl)methyl]acetamide
• SMILES: COc1ccc(CNC(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)cc1
• InChI: InChI=1S/C22H23N3O4/c1-29-17-10-8-15(9-11-17)13-23-19(26)14-25-20(27)22(24-21(25)28)12-4-6-16-5-2-3-7-18(16)22/h2-3,5,7-11H,4,6,12-14H2,1H3,(H,23,26)(H,24,28)/t22-/m1/s1
• InChIKey: QWCWNJZDWQNUHM-JOCHJYFZSA-N
• XLogP: 2.10
• TPSA: 87.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.44
LogP ≤ 5	2.10
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 2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[(4-methoxyphenyl)methyl]acetamide?

The IUPAC name of 2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[(4-methoxyphenyl)methyl]acetamide (CID 2706117) is 2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[(4-methoxyphenyl)methyl]acetamide.

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

The canonical SMILES for 2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)cc1.

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

The InChIKey is QWCWNJZDWQNUHM-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-29-17-10-8-15(9-11-17)13-23-19(26)14-25-20(27)22(24-21(25)28)12-4-6-16-5-2-3-7-18(16)22/h2-3,5,7-11H,4,6,12-14H2,1H3,(H,23,26)(H,24,28)/t22-/m1/s1.

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

2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 393.44 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 2706117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).