2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)acetamide;molecular hydrogen

C25H30N4O5 — CID 158937854

IUPAC2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)acetamide;molecular hydrogen
SMILESCC(C)(C)c1ccc2c(c1)N(CC(=O)Nc1ccc3c(c1)CC1(C3)NC(=O)NC1=O)C(=O)CO2.[H][H].[H][H]
InChIInChI=1S/C25H26N4O5.2H2/c1-24(2,3)16-5-7-19-18(9-16)29(21(31)13-34-19)12-20(30)26-17-6-4-14-10-25(11-15(14)8-17)22(32)27-23(33)28-25;;/h4-9H,10-13H2,1-3H3,(H,26,30)(H2,27,28,32,33);2*1H
InChIKeyJJWIIFUEWABYPN-UHFFFAOYSA-N
MW466.54 g/mol
LogP2.52
Rot. Bonds3

About 2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)acetamide;molecular hydrogen

2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)acetamide;molecular hydrogen (PubChem CID 158937854) has the molecular formula C25H30N4O5 and a molecular weight of 466.54 g/mol. Its IUPAC name is 2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)acetamide;molecular hydrogen.

Molecular Properties

Compound Name2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)acetamide;molecular hydrogen
PubChem CID158937854
Molecular FormulaC25H30N4O5
Molecular Weight466.54 g/mol
Exact Mass466.22
IUPAC Name2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)acetamide;molecular hydrogen
SMILESCC(C)(C)c1ccc2c(c1)N(CC(=O)Nc1ccc3c(c1)CC1(C3)NC(=O)NC1=O)C(=O)CO2.[H][H].[H][H]
InChIInChI=1S/C25H26N4O5.2H2/c1-24(2,3)16-5-7-19-18(9-16)29(21(31)13-34-19)12-20(30)26-17-6-4-14-10-25(11-15(14)8-17)22(32)27-23(33)28-25;;/h4-9H,10-13H2,1-3H3,(H,26,30)(H2,27,28,32,33);2*1H
InChIKeyJJWIIFUEWABYPN-UHFFFAOYSA-N
XLogP2.52
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)acetamide;molecular hydrogen?
The IUPAC name of 2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)acetamide;molecular hydrogen (CID 158937854) is 2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)acetamide;molecular hydrogen.
What is the SMILES notation for 2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)acetamide;molecular hydrogen?
The canonical SMILES for 2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)acetamide;molecular hydrogen is CC(C)(C)c1ccc2c(c1)N(CC(=O)Nc1ccc3c(c1)CC1(C3)NC(=O)NC1=O)C(=O)CO2.[H][H].[H][H].
What is the InChIKey of 2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)acetamide;molecular hydrogen?
The InChIKey is JJWIIFUEWABYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O5.2H2/c1-24(2,3)16-5-7-19-18(9-16)29(21(31)13-34-19)12-20(30)26-17-6-4-14-10-25(11-15(14)8-17)22(32)27-23(33)28-25;;/h4-9H,10-13H2,1-3H3,(H,26,30)(H2,27,28,32,33);2*1H.
What are the key properties of 2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)acetamide;molecular hydrogen?
2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)acetamide;molecular hydrogen has a molecular weight of 466.54 g/mol, XLogP of 2.52, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)acetamide;molecular hydrogen is sourced from PubChem (CID 158937854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).