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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Related Compounds

tert-butyl (3S)-3-[[2-[1-amino-5-[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]-1-oxo-3H-isoindol-5-yl]oxy]pyrrolidine-1-carboxylate
CID 134579943
tert-butyl 5-amino-4-[6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxy-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate
CID 134579721
3-[3-oxo-6-(2-oxocyclohexyl)oxy-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166468920
tert-butyl 5-amino-4-[6-(3-bromopropoxy)-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate
CID 135278418
tert-butyl (4S)-5-amino-4-[6-(bromomethyl)-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate
CID 177341433
tert-butyl 5-amino-4-(6-methyl-3-oxo-1H-isoindol-2-yl)-5-oxopentanoate
CID 159945708
methyl 5-amino-5-oxo-4-(3-oxo-6-phenyl-1H-isoindol-2-yl)pentanoate
CID 170631434
tert-butyl (4S)-5-amino-5-oxo-4-(3-oxo-6-piperidin-1-yl-1H-isoindol-2-yl)pentanoate
CID 174272915
2-(4-hydroxyphenoxy)cyclohexan-1-one
CID 145148348
N-methyl-2-[6-[2-(2-methylpropylamino)cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide
CID 170098970
tert-butyl (4S)-5-amino-4-[6-(1,4-dioxaspiro[4.5]decan-8-yl)-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate
CID 134579626
5-amino-4-[6-[1-[[8-fluoro-2-(oxan-4-yl)quinolin-6-yl]methyl]pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]-5-oxopentanoic acid
CID 174211327

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).