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

C21H20N2O4 — CID 2085965

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

(4S)-3'-[2-(2-methoxyphenyl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione (PubChem CID 2085965) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is (4S)-3'-[2-(2-methoxyphenyl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

• Compound Name: (4S)-3'-[2-(2-methoxyphenyl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
• PubChem CID: 2085965
• Molecular Formula: C21H20N2O4
• Molecular Weight: 364.40 g/mol
• Exact Mass: 364.14
• IUPAC Name: (4S)-3'-[2-(2-methoxyphenyl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
• SMILES: COc1ccccc1C(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O
• InChI: InChI=1S/C21H20N2O4/c1-27-18-11-5-3-9-15(18)17(24)13-23-19(25)21(22-20(23)26)12-6-8-14-7-2-4-10-16(14)21/h2-5,7,9-11H,6,8,12-13H2,1H3,(H,22,26)/t21-/m0/s1
• InChIKey: VETIMMYHQSVSBT-NRFANRHFSA-N
• XLogP: 2.66
• TPSA: 75.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.40
LogP ≤ 5	2.66
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 (4S)-3'-[2-(2-methoxyphenyl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?

The IUPAC name of (4S)-3'-[2-(2-methoxyphenyl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione (CID 2085965) is (4S)-3'-[2-(2-methoxyphenyl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione.

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

The canonical SMILES for (4S)-3'-[2-(2-methoxyphenyl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione is COc1ccccc1C(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O.

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

The InChIKey is VETIMMYHQSVSBT-NRFANRHFSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-27-18-11-5-3-9-15(18)17(24)13-23-19(25)21(22-20(23)26)12-6-8-14-7-2-4-10-16(14)21/h2-5,7,9-11H,6,8,12-13H2,1H3,(H,22,26)/t21-/m0/s1.

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

(4S)-3'-[2-(2-methoxyphenyl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 364.40 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-3'-[2-(2-methoxyphenyl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 2085965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).