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

C24H31N3O5 — CID 170102263

IUPACN-methyl-2-[6-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide
SMILESCNC(=O)C(CCC=O)N1Cc2cc(OC3CCCC3N3CC4(COC4)C3)ccc2C1=O
InChIInChI=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)
InChIKeyPAKJCSBCAKLPIA-UHFFFAOYSA-N
MW441.53 g/mol
LogP1.37
Rot. Bonds8

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 NameN-methyl-2-[6-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide
PubChem CID170102263
Molecular FormulaC24H31N3O5
Molecular Weight441.53 g/mol
Exact Mass441.23
IUPAC NameN-methyl-2-[6-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide
SMILESCNC(=O)C(CCC=O)N1Cc2cc(OC3CCCC3N3CC4(COC4)C3)ccc2C1=O
InChIInChI=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)
InChIKeyPAKJCSBCAKLPIA-UHFFFAOYSA-N
XLogP1.37
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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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).