2-hydroxy-3,4,5-trimethoxy-N-methylbenzamide

C11H15NO5 — CID 141383481

IUPAC2-hydroxy-3,4,5-trimethoxy-N-methylbenzamide
SMILESCNC(=O)c1cc(OC)c(OC)c(OC)c1O
InChIInChI=1S/C11H15NO5/c1-12-11(14)6-5-7(15-2)9(16-3)10(17-4)8(6)13/h5,13H,1-4H3,(H,12,14)
InChIKeyBFQMBQGKMYEKEI-UHFFFAOYSA-N
MW241.24 g/mol
LogP0.78
Rot. Bonds4

About 2-hydroxy-3,4,5-trimethoxy-N-methylbenzamide

2-hydroxy-3,4,5-trimethoxy-N-methylbenzamide (PubChem CID 141383481) has the molecular formula C11H15NO5 and a molecular weight of 241.24 g/mol. Its IUPAC name is 2-hydroxy-3,4,5-trimethoxy-N-methylbenzamide.

Molecular Properties

Compound Name2-hydroxy-3,4,5-trimethoxy-N-methylbenzamide
PubChem CID141383481
Molecular FormulaC11H15NO5
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Name2-hydroxy-3,4,5-trimethoxy-N-methylbenzamide
SMILESCNC(=O)c1cc(OC)c(OC)c(OC)c1O
InChIInChI=1S/C11H15NO5/c1-12-11(14)6-5-7(15-2)9(16-3)10(17-4)8(6)13/h5,13H,1-4H3,(H,12,14)
InChIKeyBFQMBQGKMYEKEI-UHFFFAOYSA-N
XLogP0.78
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3,4,5-trimethoxy-N-methylbenzamide?
The IUPAC name of 2-hydroxy-3,4,5-trimethoxy-N-methylbenzamide (CID 141383481) is 2-hydroxy-3,4,5-trimethoxy-N-methylbenzamide.
What is the SMILES notation for 2-hydroxy-3,4,5-trimethoxy-N-methylbenzamide?
The canonical SMILES for 2-hydroxy-3,4,5-trimethoxy-N-methylbenzamide is CNC(=O)c1cc(OC)c(OC)c(OC)c1O.
What is the InChIKey of 2-hydroxy-3,4,5-trimethoxy-N-methylbenzamide?
The InChIKey is BFQMBQGKMYEKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5/c1-12-11(14)6-5-7(15-2)9(16-3)10(17-4)8(6)13/h5,13H,1-4H3,(H,12,14).
What are the key properties of 2-hydroxy-3,4,5-trimethoxy-N-methylbenzamide?
2-hydroxy-3,4,5-trimethoxy-N-methylbenzamide has a molecular weight of 241.24 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3,4,5-trimethoxy-N-methylbenzamide is sourced from PubChem (CID 141383481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).