3,4,5-Trimethoxybenzamide

C10H13NO4 — CID 18334

IUPAC3,4,5-trimethoxybenzamide
SMILESCOC1=CC(=CC(=C1OC)OC)C(=O)N
InChIInChI=1S/C10H13NO4/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3,(H2,11,12)
InChIKeyGGNMTJKRHHLJHH-UHFFFAOYSA-N
MW211.21 g/mol
LogP0.70
Rot. Bonds4

About 3,4,5-Trimethoxybenzamide

3,4,5-Trimethoxybenzamide (PubChem CID 18334) has the molecular formula C10H13NO4 and a molecular weight of 211.21 g/mol. Its IUPAC name is 3,4,5-trimethoxybenzamide.

Molecular Properties

Compound Name3,4,5-Trimethoxybenzamide
PubChem CID18334
Molecular FormulaC10H13NO4
Molecular Weight211.21 g/mol
Exact Mass211.08
IUPAC Name3,4,5-trimethoxybenzamide
SMILESCOC1=CC(=CC(=C1OC)OC)C(=O)N
InChIInChI=1S/C10H13NO4/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3,(H2,11,12)
InChIKeyGGNMTJKRHHLJHH-UHFFFAOYSA-N
XLogP0.70
TPSA70.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity207

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Troxipide
CID 5597
Trimetozine
CID 12478
3,4,5-Trimethoxybenzaldehyde
CID 6858
Methyl 3,4,5-trimethoxybenzoate
CID 15956
4-Hydroxy-3,5-dimethoxybenzamide
CID 76522
Trocimine
CID 26650
Cintriamide
CID 6154037
Capobenic Acid
CID 30627
1-(3,4,5-Trimethoxyphenyl)-1-propanone
CID 200101
Decimemide
CID 26929
Benzamide, N-(2-(1-pyrrolidinyl)ethyl)-3,4,5-trimethoxy-, monohydrochloride
CID 2947321
3,4-Dimethoxybenzamide
CID 73705

Frequently Asked Questions

What is the IUPAC name of 3,4,5-Trimethoxybenzamide?
The IUPAC name of 3,4,5-Trimethoxybenzamide (CID 18334) is 3,4,5-trimethoxybenzamide.
What is the SMILES notation for 3,4,5-Trimethoxybenzamide?
The canonical SMILES for 3,4,5-Trimethoxybenzamide is COC1=CC(=CC(=C1OC)OC)C(=O)N.
What is the InChIKey of 3,4,5-Trimethoxybenzamide?
The InChIKey is GGNMTJKRHHLJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3,(H2,11,12).
What are the key properties of 3,4,5-Trimethoxybenzamide?
3,4,5-Trimethoxybenzamide has a molecular weight of 211.21 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-Trimethoxybenzamide is sourced from PubChem (CID 18334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).