N-methyl-5-oxo-2-[3-oxo-6-(3-oxopropyl)-1H-isoindol-2-yl]pentanamide

C17H20N2O4 — CID 163294263

IUPACN-methyl-5-oxo-2-[3-oxo-6-(3-oxopropyl)-1H-isoindol-2-yl]pentanamide
SMILESCNC(=O)C(CCC=O)N1Cc2cc(CCC=O)ccc2C1=O
InChIInChI=1S/C17H20N2O4/c1-18-16(22)15(5-3-9-21)19-11-13-10-12(4-2-8-20)6-7-14(13)17(19)23/h6-10,15H,2-5,11H2,1H3,(H,18,22)
InChIKeyYKYPZSODZPUSSV-UHFFFAOYSA-N
MW316.36 g/mol
LogP0.87
Rot. Bonds8

About N-methyl-5-oxo-2-[3-oxo-6-(3-oxopropyl)-1H-isoindol-2-yl]pentanamide

N-methyl-5-oxo-2-[3-oxo-6-(3-oxopropyl)-1H-isoindol-2-yl]pentanamide (PubChem CID 163294263) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-methyl-5-oxo-2-[3-oxo-6-(3-oxopropyl)-1H-isoindol-2-yl]pentanamide.

Molecular Properties

Compound NameN-methyl-5-oxo-2-[3-oxo-6-(3-oxopropyl)-1H-isoindol-2-yl]pentanamide
PubChem CID163294263
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC NameN-methyl-5-oxo-2-[3-oxo-6-(3-oxopropyl)-1H-isoindol-2-yl]pentanamide
SMILESCNC(=O)C(CCC=O)N1Cc2cc(CCC=O)ccc2C1=O
InChIInChI=1S/C17H20N2O4/c1-18-16(22)15(5-3-9-21)19-11-13-10-12(4-2-8-20)6-7-14(13)17(19)23/h6-10,15H,2-5,11H2,1H3,(H,18,22)
InChIKeyYKYPZSODZPUSSV-UHFFFAOYSA-N
XLogP0.87
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-5-oxo-2-[3-oxo-6-(3-oxopropyl)-1H-isoindol-2-yl]pentanamide?
The IUPAC name of N-methyl-5-oxo-2-[3-oxo-6-(3-oxopropyl)-1H-isoindol-2-yl]pentanamide (CID 163294263) is N-methyl-5-oxo-2-[3-oxo-6-(3-oxopropyl)-1H-isoindol-2-yl]pentanamide.
What is the SMILES notation for N-methyl-5-oxo-2-[3-oxo-6-(3-oxopropyl)-1H-isoindol-2-yl]pentanamide?
The canonical SMILES for N-methyl-5-oxo-2-[3-oxo-6-(3-oxopropyl)-1H-isoindol-2-yl]pentanamide is CNC(=O)C(CCC=O)N1Cc2cc(CCC=O)ccc2C1=O.
What is the InChIKey of N-methyl-5-oxo-2-[3-oxo-6-(3-oxopropyl)-1H-isoindol-2-yl]pentanamide?
The InChIKey is YKYPZSODZPUSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-18-16(22)15(5-3-9-21)19-11-13-10-12(4-2-8-20)6-7-14(13)17(19)23/h6-10,15H,2-5,11H2,1H3,(H,18,22).
What are the key properties of N-methyl-5-oxo-2-[3-oxo-6-(3-oxopropyl)-1H-isoindol-2-yl]pentanamide?
N-methyl-5-oxo-2-[3-oxo-6-(3-oxopropyl)-1H-isoindol-2-yl]pentanamide has a molecular weight of 316.36 g/mol, XLogP of 0.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-oxo-2-[3-oxo-6-(3-oxopropyl)-1H-isoindol-2-yl]pentanamide is sourced from PubChem (CID 163294263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).