(3S)-3'-[(5-acetyl-2-methoxyphenyl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione

C22H22N2O4 — CID 2466972

About (3S)-3'-[(5-acetyl-2-methoxyphenyl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione

(3S)-3'-[(5-acetyl-2-methoxyphenyl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione (PubChem CID 2466972) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is (3S)-3'-[(5-acetyl-2-methoxyphenyl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione.

Molecular Properties

• Compound Name: (3S)-3'-[(5-acetyl-2-methoxyphenyl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
• PubChem CID: 2466972
• Molecular Formula: C22H22N2O4
• Molecular Weight: 378.43 g/mol
• Exact Mass: 378.16
• IUPAC Name: (3S)-3'-[(5-acetyl-2-methoxyphenyl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
• SMILES: COc1ccc(C(C)=O)cc1CN1C(=O)N[C@]2(CCc3ccccc3C2)C1=O
• InChI: InChI=1S/C22H22N2O4/c1-14(25)16-7-8-19(28-2)18(11-16)13-24-20(26)22(23-21(24)27)10-9-15-5-3-4-6-17(15)12-22/h3-8,11H,9-10,12-13H2,1-2H3,(H,23,27)/t22-/m0/s1
• InChIKey: YJFGONFAMGEBFQ-QFIPXVFZSA-N
• XLogP: 2.88
• TPSA: 75.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.43
LogP ≤ 5	2.88
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 (3S)-3'-[(5-acetyl-2-methoxyphenyl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione?

The IUPAC name of (3S)-3'-[(5-acetyl-2-methoxyphenyl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione (CID 2466972) is (3S)-3'-[(5-acetyl-2-methoxyphenyl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione.

What is the SMILES notation for (3S)-3'-[(5-acetyl-2-methoxyphenyl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione?

The canonical SMILES for (3S)-3'-[(5-acetyl-2-methoxyphenyl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione is COc1ccc(C(C)=O)cc1CN1C(=O)N[C@]2(CCc3ccccc3C2)C1=O.

What is the InChIKey of (3S)-3'-[(5-acetyl-2-methoxyphenyl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione?

The InChIKey is YJFGONFAMGEBFQ-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-14(25)16-7-8-19(28-2)18(11-16)13-24-20(26)22(23-21(24)27)10-9-15-5-3-4-6-17(15)12-22/h3-8,11H,9-10,12-13H2,1-2H3,(H,23,27)/t22-/m0/s1.

What are the key properties of (3S)-3'-[(5-acetyl-2-methoxyphenyl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione?

(3S)-3'-[(5-acetyl-2-methoxyphenyl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione has a molecular weight of 378.43 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-3'-[(5-acetyl-2-methoxyphenyl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 2466972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).