2-[(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)methyl-methylamino]-N-propylacetamide

C15H25N3O3 — CID 16558682

IUPAC2-[(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)methyl-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)CN1C(=O)CC2(CCCC2)C1=O
InChIInChI=1S/C15H25N3O3/c1-3-8-16-12(19)10-17(2)11-18-13(20)9-15(14(18)21)6-4-5-7-15/h3-11H2,1-2H3,(H,16,19)
InChIKeyGGSZJIDBAYRBPJ-UHFFFAOYSA-N
MW295.38 g/mol
LogP0.72
Rot. Bonds6

About 2-[(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)methyl-methylamino]-N-propylacetamide

2-[(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)methyl-methylamino]-N-propylacetamide (PubChem CID 16558682) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-[(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)methyl-methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)methyl-methylamino]-N-propylacetamide
PubChem CID16558682
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name2-[(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)methyl-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)CN1C(=O)CC2(CCCC2)C1=O
InChIInChI=1S/C15H25N3O3/c1-3-8-16-12(19)10-17(2)11-18-13(20)9-15(14(18)21)6-4-5-7-15/h3-11H2,1-2H3,(H,16,19)
InChIKeyGGSZJIDBAYRBPJ-UHFFFAOYSA-N
XLogP0.72
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)methyl-methylamino]-N-propylacetamide?
The IUPAC name of 2-[(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)methyl-methylamino]-N-propylacetamide (CID 16558682) is 2-[(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)methyl-methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)methyl-methylamino]-N-propylacetamide?
The canonical SMILES for 2-[(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)methyl-methylamino]-N-propylacetamide is CCCNC(=O)CN(C)CN1C(=O)CC2(CCCC2)C1=O.
What is the InChIKey of 2-[(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)methyl-methylamino]-N-propylacetamide?
The InChIKey is GGSZJIDBAYRBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-3-8-16-12(19)10-17(2)11-18-13(20)9-15(14(18)21)6-4-5-7-15/h3-11H2,1-2H3,(H,16,19).
What are the key properties of 2-[(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)methyl-methylamino]-N-propylacetamide?
2-[(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)methyl-methylamino]-N-propylacetamide has a molecular weight of 295.38 g/mol, XLogP of 0.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)methyl-methylamino]-N-propylacetamide is sourced from PubChem (CID 16558682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).