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

C24H28N4O5 — CID 158541982

IUPACN-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-2-[(2S)-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]acetamide;molecular hydrogen
SMILESCC(C)[C@@H]1Oc2ccccc2N(CC(=O)Nc2ccc3c(c2)CC2(C3)NC(=O)NC2=O)C1=O.[H][H].[H][H]
InChIInChI=1S/C24H24N4O5.2H2/c1-13(2)20-21(30)28(17-5-3-4-6-18(17)33-20)12-19(29)25-16-8-7-14-10-24(11-15(14)9-16)22(31)26-23(32)27-24;;/h3-9,13,20H,10-12H2,1-2H3,(H,25,29)(H2,26,27,31,32);2*1H/t20-,24?;;/m0../s1
InChIKeyHOQBIEAVGXHTHC-HGCMTXIOSA-N
MW452.51 g/mol
LogP2.24
Rot. Bonds4

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

N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-2-[(2S)-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]acetamide;molecular hydrogen (PubChem CID 158541982) has the molecular formula C24H28N4O5 and a molecular weight of 452.51 g/mol. Its IUPAC name is N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-2-[(2S)-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]acetamide;molecular hydrogen.

Molecular Properties

Compound NameN-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-2-[(2S)-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]acetamide;molecular hydrogen
PubChem CID158541982
Molecular FormulaC24H28N4O5
Molecular Weight452.51 g/mol
Exact Mass452.21
IUPAC NameN-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-2-[(2S)-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]acetamide;molecular hydrogen
SMILESCC(C)[C@@H]1Oc2ccccc2N(CC(=O)Nc2ccc3c(c2)CC2(C3)NC(=O)NC2=O)C1=O.[H][H].[H][H]
InChIInChI=1S/C24H24N4O5.2H2/c1-13(2)20-21(30)28(17-5-3-4-6-18(17)33-20)12-19(29)25-16-8-7-14-10-24(11-15(14)9-16)22(31)26-23(32)27-24;;/h3-9,13,20H,10-12H2,1-2H3,(H,25,29)(H2,26,27,31,32);2*1H/t20-,24?;;/m0../s1
InChIKeyHOQBIEAVGXHTHC-HGCMTXIOSA-N
XLogP2.24
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 52.24
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 N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-2-[(2S)-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]acetamide;molecular hydrogen?
The IUPAC name of N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-2-[(2S)-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]acetamide;molecular hydrogen (CID 158541982) is N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-2-[(2S)-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]acetamide;molecular hydrogen.
What is the SMILES notation for N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-2-[(2S)-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]acetamide;molecular hydrogen?
The canonical SMILES for N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-2-[(2S)-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]acetamide;molecular hydrogen is CC(C)[C@@H]1Oc2ccccc2N(CC(=O)Nc2ccc3c(c2)CC2(C3)NC(=O)NC2=O)C1=O.[H][H].[H][H].
What is the InChIKey of N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-2-[(2S)-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]acetamide;molecular hydrogen?
The InChIKey is HOQBIEAVGXHTHC-HGCMTXIOSA-N. The full InChI is InChI=1S/C24H24N4O5.2H2/c1-13(2)20-21(30)28(17-5-3-4-6-18(17)33-20)12-19(29)25-16-8-7-14-10-24(11-15(14)9-16)22(31)26-23(32)27-24;;/h3-9,13,20H,10-12H2,1-2H3,(H,25,29)(H2,26,27,31,32);2*1H/t20-,24?;;/m0../s1.
What are the key properties of N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-2-[(2S)-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]acetamide;molecular hydrogen?
N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-2-[(2S)-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]acetamide;molecular hydrogen has a molecular weight of 452.51 g/mol, XLogP of 2.24, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-2-[(2S)-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]acetamide;molecular hydrogen is sourced from PubChem (CID 158541982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).