6,7-dimethoxy-N,2-dimethylspiro[1,3-dihydroisoquinoline-4,4'-oxane]-1-carboxamide

C18H26N2O4 — CID 166176695

IUPAC6,7-dimethoxy-N,2-dimethylspiro[1,3-dihydroisoquinoline-4,4'-oxane]-1-carboxamide
SMILESCNC(=O)C1c2cc(OC)c(OC)cc2C2(CCOCC2)CN1C
InChIInChI=1S/C18H26N2O4/c1-19-17(21)16-12-9-14(22-3)15(23-4)10-13(12)18(11-20(16)2)5-7-24-8-6-18/h9-10,16H,5-8,11H2,1-4H3,(H,19,21)
InChIKeyWTKKTRJSNQLXHS-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.48
Rot. Bonds3

About 6,7-dimethoxy-N,2-dimethylspiro[1,3-dihydroisoquinoline-4,4'-oxane]-1-carboxamide

6,7-dimethoxy-N,2-dimethylspiro[1,3-dihydroisoquinoline-4,4'-oxane]-1-carboxamide (PubChem CID 166176695) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is 6,7-dimethoxy-N,2-dimethylspiro[1,3-dihydroisoquinoline-4,4'-oxane]-1-carboxamide.

Molecular Properties

Compound Name6,7-dimethoxy-N,2-dimethylspiro[1,3-dihydroisoquinoline-4,4'-oxane]-1-carboxamide
PubChem CID166176695
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name6,7-dimethoxy-N,2-dimethylspiro[1,3-dihydroisoquinoline-4,4'-oxane]-1-carboxamide
SMILESCNC(=O)C1c2cc(OC)c(OC)cc2C2(CCOCC2)CN1C
InChIInChI=1S/C18H26N2O4/c1-19-17(21)16-12-9-14(22-3)15(23-4)10-13(12)18(11-20(16)2)5-7-24-8-6-18/h9-10,16H,5-8,11H2,1-4H3,(H,19,21)
InChIKeyWTKKTRJSNQLXHS-UHFFFAOYSA-N
XLogP1.48
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-N,2-dimethylspiro[1,3-dihydroisoquinoline-4,4'-oxane]-1-carboxamide?
The IUPAC name of 6,7-dimethoxy-N,2-dimethylspiro[1,3-dihydroisoquinoline-4,4'-oxane]-1-carboxamide (CID 166176695) is 6,7-dimethoxy-N,2-dimethylspiro[1,3-dihydroisoquinoline-4,4'-oxane]-1-carboxamide.
What is the SMILES notation for 6,7-dimethoxy-N,2-dimethylspiro[1,3-dihydroisoquinoline-4,4'-oxane]-1-carboxamide?
The canonical SMILES for 6,7-dimethoxy-N,2-dimethylspiro[1,3-dihydroisoquinoline-4,4'-oxane]-1-carboxamide is CNC(=O)C1c2cc(OC)c(OC)cc2C2(CCOCC2)CN1C.
What is the InChIKey of 6,7-dimethoxy-N,2-dimethylspiro[1,3-dihydroisoquinoline-4,4'-oxane]-1-carboxamide?
The InChIKey is WTKKTRJSNQLXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-19-17(21)16-12-9-14(22-3)15(23-4)10-13(12)18(11-20(16)2)5-7-24-8-6-18/h9-10,16H,5-8,11H2,1-4H3,(H,19,21).
What are the key properties of 6,7-dimethoxy-N,2-dimethylspiro[1,3-dihydroisoquinoline-4,4'-oxane]-1-carboxamide?
6,7-dimethoxy-N,2-dimethylspiro[1,3-dihydroisoquinoline-4,4'-oxane]-1-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-N,2-dimethylspiro[1,3-dihydroisoquinoline-4,4'-oxane]-1-carboxamide is sourced from PubChem (CID 166176695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).