2-(hydroxymethyl)-3,4,5-trimethoxybenzamide

C11H15NO5 — CID 19019173

IUPAC2-(hydroxymethyl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(N)=O)c(CO)c(OC)c1OC
InChIInChI=1S/C11H15NO5/c1-15-8-4-6(11(12)14)7(5-13)9(16-2)10(8)17-3/h4,13H,5H2,1-3H3,(H2,12,14)
InChIKeyDQTACEHGADFAPQ-UHFFFAOYSA-N
MW241.24 g/mol
LogP0.30
Rot. Bonds5

About 2-(hydroxymethyl)-3,4,5-trimethoxybenzamide

2-(hydroxymethyl)-3,4,5-trimethoxybenzamide (PubChem CID 19019173) has the molecular formula C11H15NO5 and a molecular weight of 241.24 g/mol. Its IUPAC name is 2-(hydroxymethyl)-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-3,4,5-trimethoxybenzamide
PubChem CID19019173
Molecular FormulaC11H15NO5
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Name2-(hydroxymethyl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(N)=O)c(CO)c(OC)c1OC
InChIInChI=1S/C11H15NO5/c1-15-8-4-6(11(12)14)7(5-13)9(16-2)10(8)17-3/h4,13H,5H2,1-3H3,(H2,12,14)
InChIKeyDQTACEHGADFAPQ-UHFFFAOYSA-N
XLogP0.30
TPSA91.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-3,4,5-trimethoxybenzamide?
The IUPAC name of 2-(hydroxymethyl)-3,4,5-trimethoxybenzamide (CID 19019173) is 2-(hydroxymethyl)-3,4,5-trimethoxybenzamide.
What is the SMILES notation for 2-(hydroxymethyl)-3,4,5-trimethoxybenzamide?
The canonical SMILES for 2-(hydroxymethyl)-3,4,5-trimethoxybenzamide is COc1cc(C(N)=O)c(CO)c(OC)c1OC.
What is the InChIKey of 2-(hydroxymethyl)-3,4,5-trimethoxybenzamide?
The InChIKey is DQTACEHGADFAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5/c1-15-8-4-6(11(12)14)7(5-13)9(16-2)10(8)17-3/h4,13H,5H2,1-3H3,(H2,12,14).
What are the key properties of 2-(hydroxymethyl)-3,4,5-trimethoxybenzamide?
2-(hydroxymethyl)-3,4,5-trimethoxybenzamide has a molecular weight of 241.24 g/mol, XLogP of 0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 19019173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).