2-chloro-N-[8-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2-azaspiro[4.5]decan-8-yl]acetamide

C17H23ClN2O4 — CID 118225232

IUPAC2-chloro-N-[8-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2-azaspiro[4.5]decan-8-yl]acetamide
SMILESCC1=C(N2CCC3(CCC(C)(NC(=O)CCl)CC3)C2=O)COC1=O
InChIInChI=1S/C17H23ClN2O4/c1-11-12(10-24-14(11)22)20-8-7-17(15(20)23)5-3-16(2,4-6-17)19-13(21)9-18/h3-10H2,1-2H3,(H,19,21)
InChIKeyJMPNXUVNJBEUPJ-UHFFFAOYSA-N
MW354.83 g/mol
LogP1.72
Rot. Bonds3

About 2-chloro-N-[8-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2-azaspiro[4.5]decan-8-yl]acetamide

2-chloro-N-[8-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2-azaspiro[4.5]decan-8-yl]acetamide (PubChem CID 118225232) has the molecular formula C17H23ClN2O4 and a molecular weight of 354.83 g/mol. Its IUPAC name is 2-chloro-N-[8-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2-azaspiro[4.5]decan-8-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[8-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2-azaspiro[4.5]decan-8-yl]acetamide
PubChem CID118225232
Molecular FormulaC17H23ClN2O4
Molecular Weight354.83 g/mol
Exact Mass354.13
IUPAC Name2-chloro-N-[8-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2-azaspiro[4.5]decan-8-yl]acetamide
SMILESCC1=C(N2CCC3(CCC(C)(NC(=O)CCl)CC3)C2=O)COC1=O
InChIInChI=1S/C17H23ClN2O4/c1-11-12(10-24-14(11)22)20-8-7-17(15(20)23)5-3-16(2,4-6-17)19-13(21)9-18/h3-10H2,1-2H3,(H,19,21)
InChIKeyJMPNXUVNJBEUPJ-UHFFFAOYSA-N
XLogP1.72
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.83
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[8-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2-azaspiro[4.5]decan-8-yl]acetamide?
The IUPAC name of 2-chloro-N-[8-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2-azaspiro[4.5]decan-8-yl]acetamide (CID 118225232) is 2-chloro-N-[8-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2-azaspiro[4.5]decan-8-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[8-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2-azaspiro[4.5]decan-8-yl]acetamide?
The canonical SMILES for 2-chloro-N-[8-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2-azaspiro[4.5]decan-8-yl]acetamide is CC1=C(N2CCC3(CCC(C)(NC(=O)CCl)CC3)C2=O)COC1=O.
What is the InChIKey of 2-chloro-N-[8-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2-azaspiro[4.5]decan-8-yl]acetamide?
The InChIKey is JMPNXUVNJBEUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O4/c1-11-12(10-24-14(11)22)20-8-7-17(15(20)23)5-3-16(2,4-6-17)19-13(21)9-18/h3-10H2,1-2H3,(H,19,21).
What are the key properties of 2-chloro-N-[8-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2-azaspiro[4.5]decan-8-yl]acetamide?
2-chloro-N-[8-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2-azaspiro[4.5]decan-8-yl]acetamide has a molecular weight of 354.83 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[8-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2-azaspiro[4.5]decan-8-yl]acetamide is sourced from PubChem (CID 118225232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).