6-methoxy-1-oxo-N-(2,4,6-trimethylphenyl)isochromene-3-carboxamide

C20H19NO4 — CID 172905265

IUPAC6-methoxy-1-oxo-N-(2,4,6-trimethylphenyl)isochromene-3-carboxamide
SMILESCOc1ccc2c(=O)oc(C(=O)Nc3c(C)cc(C)cc3C)cc2c1
InChIInChI=1S/C20H19NO4/c1-11-7-12(2)18(13(3)8-11)21-19(22)17-10-14-9-15(24-4)5-6-16(14)20(23)25-17/h5-10H,1-4H3,(H,21,22)
InChIKeyRCSQKKHZFOMOJS-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.98
Rot. Bonds3

About 6-methoxy-1-oxo-N-(2,4,6-trimethylphenyl)isochromene-3-carboxamide

6-methoxy-1-oxo-N-(2,4,6-trimethylphenyl)isochromene-3-carboxamide (PubChem CID 172905265) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is 6-methoxy-1-oxo-N-(2,4,6-trimethylphenyl)isochromene-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-1-oxo-N-(2,4,6-trimethylphenyl)isochromene-3-carboxamide
PubChem CID172905265
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name6-methoxy-1-oxo-N-(2,4,6-trimethylphenyl)isochromene-3-carboxamide
SMILESCOc1ccc2c(=O)oc(C(=O)Nc3c(C)cc(C)cc3C)cc2c1
InChIInChI=1S/C20H19NO4/c1-11-7-12(2)18(13(3)8-11)21-19(22)17-10-14-9-15(24-4)5-6-16(14)20(23)25-17/h5-10H,1-4H3,(H,21,22)
InChIKeyRCSQKKHZFOMOJS-UHFFFAOYSA-N
XLogP3.98
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-oxo-N-(2,4,6-trimethylphenyl)isochromene-3-carboxamide?
The IUPAC name of 6-methoxy-1-oxo-N-(2,4,6-trimethylphenyl)isochromene-3-carboxamide (CID 172905265) is 6-methoxy-1-oxo-N-(2,4,6-trimethylphenyl)isochromene-3-carboxamide.
What is the SMILES notation for 6-methoxy-1-oxo-N-(2,4,6-trimethylphenyl)isochromene-3-carboxamide?
The canonical SMILES for 6-methoxy-1-oxo-N-(2,4,6-trimethylphenyl)isochromene-3-carboxamide is COc1ccc2c(=O)oc(C(=O)Nc3c(C)cc(C)cc3C)cc2c1.
What is the InChIKey of 6-methoxy-1-oxo-N-(2,4,6-trimethylphenyl)isochromene-3-carboxamide?
The InChIKey is RCSQKKHZFOMOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-11-7-12(2)18(13(3)8-11)21-19(22)17-10-14-9-15(24-4)5-6-16(14)20(23)25-17/h5-10H,1-4H3,(H,21,22).
What are the key properties of 6-methoxy-1-oxo-N-(2,4,6-trimethylphenyl)isochromene-3-carboxamide?
6-methoxy-1-oxo-N-(2,4,6-trimethylphenyl)isochromene-3-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-oxo-N-(2,4,6-trimethylphenyl)isochromene-3-carboxamide is sourced from PubChem (CID 172905265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).