3'-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione

C22H19N3O5 — CID 43000888

About 3'-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione

3'-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione (PubChem CID 43000888) has the molecular formula C22H19N3O5 and a molecular weight of 405.41 g/mol. Its IUPAC name is 3'-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

• Compound Name: 3'-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
• PubChem CID: 43000888
• Molecular Formula: C22H19N3O5
• Molecular Weight: 405.41 g/mol
• Exact Mass: 405.13
• IUPAC Name: 3'-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
• SMILES: O=C1COc2ccc(C(=O)CN3C(=O)NC4(CCCc5ccccc54)C3=O)cc2N1
• InChI: InChI=1S/C22H19N3O5/c26-17(14-7-8-18-16(10-14)23-19(27)12-30-18)11-25-20(28)22(24-21(25)29)9-3-5-13-4-1-2-6-15(13)22/h1-2,4,6-8,10H,3,5,9,11-12H2,(H,23,27)(H,24,29)
• InChIKey: ANFYMMMRDIEPLK-UHFFFAOYSA-N
• XLogP: 1.98
• TPSA: 104.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.41
LogP ≤ 5	1.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3'-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?

The IUPAC name of 3'-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione (CID 43000888) is 3'-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione.

What is the SMILES notation for 3'-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?

The canonical SMILES for 3'-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione is O=C1COc2ccc(C(=O)CN3C(=O)NC4(CCCc5ccccc54)C3=O)cc2N1.

What is the InChIKey of 3'-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?

The InChIKey is ANFYMMMRDIEPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O5/c26-17(14-7-8-18-16(10-14)23-19(27)12-30-18)11-25-20(28)22(24-21(25)29)9-3-5-13-4-1-2-6-15(13)22/h1-2,4,6-8,10H,3,5,9,11-12H2,(H,23,27)(H,24,29).

What are the key properties of 3'-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?

3'-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 405.41 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3'-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 43000888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).