(5,7-dimethoxy-3-oxo-1H-isoindol-2-yl) 2-[di(propan-2-yl)amino]-2-oxoacetate

C18H24N2O6 — CID 132563526

IUPAC(5,7-dimethoxy-3-oxo-1H-isoindol-2-yl) 2-[di(propan-2-yl)amino]-2-oxoacetate
SMILESCOc1cc(OC)c2c(c1)C(=O)N(OC(=O)C(=O)N(C(C)C)C(C)C)C2
InChIInChI=1S/C18H24N2O6/c1-10(2)20(11(3)4)17(22)18(23)26-19-9-14-13(16(19)21)7-12(24-5)8-15(14)25-6/h7-8,10-11H,9H2,1-6H3
InChIKeyVNEGNEKSZLVCMH-UHFFFAOYSA-N
MW364.40 g/mol
LogP1.76
Rot. Bonds5

About (5,7-dimethoxy-3-oxo-1H-isoindol-2-yl) 2-[di(propan-2-yl)amino]-2-oxoacetate

(5,7-dimethoxy-3-oxo-1H-isoindol-2-yl) 2-[di(propan-2-yl)amino]-2-oxoacetate (PubChem CID 132563526) has the molecular formula C18H24N2O6 and a molecular weight of 364.40 g/mol. Its IUPAC name is (5,7-dimethoxy-3-oxo-1H-isoindol-2-yl) 2-[di(propan-2-yl)amino]-2-oxoacetate.

Molecular Properties

Compound Name(5,7-dimethoxy-3-oxo-1H-isoindol-2-yl) 2-[di(propan-2-yl)amino]-2-oxoacetate
PubChem CID132563526
Molecular FormulaC18H24N2O6
Molecular Weight364.40 g/mol
Exact Mass364.16
IUPAC Name(5,7-dimethoxy-3-oxo-1H-isoindol-2-yl) 2-[di(propan-2-yl)amino]-2-oxoacetate
SMILESCOc1cc(OC)c2c(c1)C(=O)N(OC(=O)C(=O)N(C(C)C)C(C)C)C2
InChIInChI=1S/C18H24N2O6/c1-10(2)20(11(3)4)17(22)18(23)26-19-9-14-13(16(19)21)7-12(24-5)8-15(14)25-6/h7-8,10-11H,9H2,1-6H3
InChIKeyVNEGNEKSZLVCMH-UHFFFAOYSA-N
XLogP1.76
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5,7-dimethoxy-3-oxo-1H-isoindol-2-yl) 2-[di(propan-2-yl)amino]-2-oxoacetate?
The IUPAC name of (5,7-dimethoxy-3-oxo-1H-isoindol-2-yl) 2-[di(propan-2-yl)amino]-2-oxoacetate (CID 132563526) is (5,7-dimethoxy-3-oxo-1H-isoindol-2-yl) 2-[di(propan-2-yl)amino]-2-oxoacetate.
What is the SMILES notation for (5,7-dimethoxy-3-oxo-1H-isoindol-2-yl) 2-[di(propan-2-yl)amino]-2-oxoacetate?
The canonical SMILES for (5,7-dimethoxy-3-oxo-1H-isoindol-2-yl) 2-[di(propan-2-yl)amino]-2-oxoacetate is COc1cc(OC)c2c(c1)C(=O)N(OC(=O)C(=O)N(C(C)C)C(C)C)C2.
What is the InChIKey of (5,7-dimethoxy-3-oxo-1H-isoindol-2-yl) 2-[di(propan-2-yl)amino]-2-oxoacetate?
The InChIKey is VNEGNEKSZLVCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O6/c1-10(2)20(11(3)4)17(22)18(23)26-19-9-14-13(16(19)21)7-12(24-5)8-15(14)25-6/h7-8,10-11H,9H2,1-6H3.
What are the key properties of (5,7-dimethoxy-3-oxo-1H-isoindol-2-yl) 2-[di(propan-2-yl)amino]-2-oxoacetate?
(5,7-dimethoxy-3-oxo-1H-isoindol-2-yl) 2-[di(propan-2-yl)amino]-2-oxoacetate has a molecular weight of 364.40 g/mol, XLogP of 1.76, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-dimethoxy-3-oxo-1H-isoindol-2-yl) 2-[di(propan-2-yl)amino]-2-oxoacetate is sourced from PubChem (CID 132563526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).