2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide

C20H24N4O5 — CID 46968818

IUPAC2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
SMILESCN1C(=O)COc2ccc(NC(=O)CN3C(=O)N(C)C4(CCCCC4)C3=O)cc21
InChIInChI=1S/C20H24N4O5/c1-22-14-10-13(6-7-15(14)29-12-17(22)26)21-16(25)11-24-18(27)20(23(2)19(24)28)8-4-3-5-9-20/h6-7,10H,3-5,8-9,11-12H2,1-2H3,(H,21,25)
InChIKeyYBKZWDPLKNXBIM-UHFFFAOYSA-N
MW400.44 g/mol
LogP1.58
Rot. Bonds3

About 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide

2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide (PubChem CID 46968818) has the molecular formula C20H24N4O5 and a molecular weight of 400.44 g/mol. Its IUPAC name is 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide.

Molecular Properties

Compound Name2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
PubChem CID46968818
Molecular FormulaC20H24N4O5
Molecular Weight400.44 g/mol
Exact Mass400.17
IUPAC Name2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
SMILESCN1C(=O)COc2ccc(NC(=O)CN3C(=O)N(C)C4(CCCCC4)C3=O)cc21
InChIInChI=1S/C20H24N4O5/c1-22-14-10-13(6-7-15(14)29-12-17(22)26)21-16(25)11-24-18(27)20(23(2)19(24)28)8-4-3-5-9-20/h6-7,10H,3-5,8-9,11-12H2,1-2H3,(H,21,25)
InChIKeyYBKZWDPLKNXBIM-UHFFFAOYSA-N
XLogP1.58
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-difluorophenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7850253
N-(3-fluoro-4-methylphenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 26685423
N-(3-acetamidophenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7850065
N-(3-chloro-4-methylphenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7535920
N-[4-(diethylamino)phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 34947284
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-phenylphenyl)acetamide
CID 7850067
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(3,4,5-trifluorophenyl)acetamide
CID 56761630
N-(3,5-dichlorophenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7850278
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 4793877
4-amino-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide
CID 82501321
2-chloro-N,N-diethyl-4-[[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]benzamide
CID 55673171
2-(2-aminoethylsulfanyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
CID 84553125

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide?
The IUPAC name of 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide (CID 46968818) is 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide.
What is the SMILES notation for 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide?
The canonical SMILES for 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide is CN1C(=O)COc2ccc(NC(=O)CN3C(=O)N(C)C4(CCCCC4)C3=O)cc21.
What is the InChIKey of 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide?
The InChIKey is YBKZWDPLKNXBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O5/c1-22-14-10-13(6-7-15(14)29-12-17(22)26)21-16(25)11-24-18(27)20(23(2)19(24)28)8-4-3-5-9-20/h6-7,10H,3-5,8-9,11-12H2,1-2H3,(H,21,25).
What are the key properties of 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide?
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide has a molecular weight of 400.44 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide is sourced from PubChem (CID 46968818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).