2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]acetamide

C21H31N3O4 — CID 86951518

IUPAC2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]acetamide
SMILESCc1cc(CNC(=O)CN2C(=O)NC3(CCC(C(C)(C)C)CC3)C2=O)c(C)o1
InChIInChI=1S/C21H31N3O4/c1-13-10-15(14(2)28-13)11-22-17(25)12-24-18(26)21(23-19(24)27)8-6-16(7-9-21)20(3,4)5/h10,16H,6-9,11-12H2,1-5H3,(H,22,25)(H,23,27)
InChIKeyFWJYJFYAZXPFTC-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.04
Rot. Bonds4

About 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]acetamide

2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]acetamide (PubChem CID 86951518) has the molecular formula C21H31N3O4 and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]acetamide
PubChem CID86951518
Molecular FormulaC21H31N3O4
Molecular Weight389.50 g/mol
Exact Mass389.23
IUPAC Name2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]acetamide
SMILESCc1cc(CNC(=O)CN2C(=O)NC3(CCC(C(C)(C)C)CC3)C2=O)c(C)o1
InChIInChI=1S/C21H31N3O4/c1-13-10-15(14(2)28-13)11-22-17(25)12-24-18(26)21(23-19(24)27)8-6-16(7-9-21)20(3,4)5/h10,16H,6-9,11-12H2,1-5H3,(H,22,25)(H,23,27)
InChIKeyFWJYJFYAZXPFTC-UHFFFAOYSA-N
XLogP3.04
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]acetamide?
The IUPAC name of 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]acetamide (CID 86951518) is 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]acetamide?
The canonical SMILES for 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]acetamide is Cc1cc(CNC(=O)CN2C(=O)NC3(CCC(C(C)(C)C)CC3)C2=O)c(C)o1.
What is the InChIKey of 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]acetamide?
The InChIKey is FWJYJFYAZXPFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O4/c1-13-10-15(14(2)28-13)11-22-17(25)12-24-18(26)21(23-19(24)27)8-6-16(7-9-21)20(3,4)5/h10,16H,6-9,11-12H2,1-5H3,(H,22,25)(H,23,27).
What are the key properties of 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]acetamide?
2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]acetamide has a molecular weight of 389.50 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]acetamide is sourced from PubChem (CID 86951518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).