N-methyl-2-[6-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide

About N-methyl-2-[6-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide

N-methyl-2-[6-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide (PubChem CID 170102263) has the molecular formula C24H31N3O5 and a molecular weight of 441.53 g/mol. Its IUPAC name is N-methyl-2-[6-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide.

Molecular Properties

Compound Name	N-methyl-2-[6-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide
PubChem CID	170102263
Molecular Formula	C24H31N3O5
Molecular Weight	441.53 g/mol
Exact Mass	441.23
IUPAC Name	N-methyl-2-[6-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide
SMILES	CNC(=O)C(CCC=O)N1Cc2cc(OC3CCCC3N3CC4(COC4)C3)ccc2C1=O
InChI	InChI=1S/C24H31N3O5/c1-25-22(29)20(5-3-9-28)27-11-16-10-17(7-8-18(16)23(27)30)32-21-6-2-4-19(21)26-12-24(13-26)14-31-15-24/h7-10,19-21H,2-6,11-15H2,1H3,(H,25,29)
InChIKey	PAKJCSBCAKLPIA-UHFFFAOYSA-N
XLogP	1.37
TPSA	88.18 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	8
Heavy Atoms	32
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.53
LogP ≤ 5	1.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[6-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide?

The IUPAC name of N-methyl-2-[6-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide (CID 170102263) is N-methyl-2-[6-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide.

What is the SMILES notation for N-methyl-2-[6-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide?

The canonical SMILES for N-methyl-2-[6-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide is CNC(=O)C(CCC=O)N1Cc2cc(OC3CCCC3N3CC4(COC4)C3)ccc2C1=O.

What is the InChIKey of N-methyl-2-[6-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide?

The InChIKey is PAKJCSBCAKLPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O5/c1-25-22(29)20(5-3-9-28)27-11-16-10-17(7-8-18(16)23(27)30)32-21-6-2-4-19(21)26-12-24(13-26)14-31-15-24/h7-10,19-21H,2-6,11-15H2,1H3,(H,25,29).

What are the key properties of N-methyl-2-[6-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide?

N-methyl-2-[6-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide has a molecular weight of 441.53 g/mol, XLogP of 1.37, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-2-[6-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide is sourced from PubChem (CID 170102263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).