4-hydroxy-2-[3-oxo-6-(2-oxocyclohexyl)oxy-1H-isoindol-2-yl]butanamide

C18H22N2O5 — CID 166469738

IUPAC4-hydroxy-2-[3-oxo-6-(2-oxocyclohexyl)oxy-1H-isoindol-2-yl]butanamide
SMILESNC(=O)C(CCO)N1Cc2cc(OC3CCCCC3=O)ccc2C1=O
InChIInChI=1S/C18H22N2O5/c19-17(23)14(7-8-21)20-10-11-9-12(5-6-13(11)18(20)24)25-16-4-2-1-3-15(16)22/h5-6,9,14,16,21H,1-4,7-8,10H2,(H2,19,23)
InChIKeyWDGBKUSDPNUINS-UHFFFAOYSA-N
MW346.38 g/mol
LogP0.77
Rot. Bonds6

About 4-hydroxy-2-[3-oxo-6-(2-oxocyclohexyl)oxy-1H-isoindol-2-yl]butanamide

4-hydroxy-2-[3-oxo-6-(2-oxocyclohexyl)oxy-1H-isoindol-2-yl]butanamide (PubChem CID 166469738) has the molecular formula C18H22N2O5 and a molecular weight of 346.38 g/mol. Its IUPAC name is 4-hydroxy-2-[3-oxo-6-(2-oxocyclohexyl)oxy-1H-isoindol-2-yl]butanamide.

Molecular Properties

Compound Name4-hydroxy-2-[3-oxo-6-(2-oxocyclohexyl)oxy-1H-isoindol-2-yl]butanamide
PubChem CID166469738
Molecular FormulaC18H22N2O5
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name4-hydroxy-2-[3-oxo-6-(2-oxocyclohexyl)oxy-1H-isoindol-2-yl]butanamide
SMILESNC(=O)C(CCO)N1Cc2cc(OC3CCCCC3=O)ccc2C1=O
InChIInChI=1S/C18H22N2O5/c19-17(23)14(7-8-21)20-10-11-9-12(5-6-13(11)18(20)24)25-16-4-2-1-3-15(16)22/h5-6,9,14,16,21H,1-4,7-8,10H2,(H2,19,23)
InChIKeyWDGBKUSDPNUINS-UHFFFAOYSA-N
XLogP0.77
TPSA109.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[3-oxo-6-(2-oxocyclohexyl)oxy-1H-isoindol-2-yl]butanamide?
The IUPAC name of 4-hydroxy-2-[3-oxo-6-(2-oxocyclohexyl)oxy-1H-isoindol-2-yl]butanamide (CID 166469738) is 4-hydroxy-2-[3-oxo-6-(2-oxocyclohexyl)oxy-1H-isoindol-2-yl]butanamide.
What is the SMILES notation for 4-hydroxy-2-[3-oxo-6-(2-oxocyclohexyl)oxy-1H-isoindol-2-yl]butanamide?
The canonical SMILES for 4-hydroxy-2-[3-oxo-6-(2-oxocyclohexyl)oxy-1H-isoindol-2-yl]butanamide is NC(=O)C(CCO)N1Cc2cc(OC3CCCCC3=O)ccc2C1=O.
What is the InChIKey of 4-hydroxy-2-[3-oxo-6-(2-oxocyclohexyl)oxy-1H-isoindol-2-yl]butanamide?
The InChIKey is WDGBKUSDPNUINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5/c19-17(23)14(7-8-21)20-10-11-9-12(5-6-13(11)18(20)24)25-16-4-2-1-3-15(16)22/h5-6,9,14,16,21H,1-4,7-8,10H2,(H2,19,23).
What are the key properties of 4-hydroxy-2-[3-oxo-6-(2-oxocyclohexyl)oxy-1H-isoindol-2-yl]butanamide?
4-hydroxy-2-[3-oxo-6-(2-oxocyclohexyl)oxy-1H-isoindol-2-yl]butanamide has a molecular weight of 346.38 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-[3-oxo-6-(2-oxocyclohexyl)oxy-1H-isoindol-2-yl]butanamide is sourced from PubChem (CID 166469738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).