N-(1,3-benzodioxol-5-ylmethyl)-2,4,5-trimethoxybenzamide

C18H19NO6 — CID 2200125

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2,4,5-trimethoxybenzamide
SMILESCOc1cc(OC)c(C(=O)NCc2ccc3c(c2)OCO3)cc1OC
InChIInChI=1S/C18H19NO6/c1-21-14-8-16(23-3)15(22-2)7-12(14)18(20)19-9-11-4-5-13-17(6-11)25-10-24-13/h4-8H,9-10H2,1-3H3,(H,19,20)
InChIKeySYTRACCMAHUDOW-UHFFFAOYSA-N
MW345.35 g/mol
LogP2.37
Rot. Bonds6

About N-(1,3-benzodioxol-5-ylmethyl)-2,4,5-trimethoxybenzamide

N-(1,3-benzodioxol-5-ylmethyl)-2,4,5-trimethoxybenzamide (PubChem CID 2200125) has the molecular formula C18H19NO6 and a molecular weight of 345.35 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2,4,5-trimethoxybenzamide
PubChem CID2200125
Molecular FormulaC18H19NO6
Molecular Weight345.35 g/mol
Exact Mass345.12
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2,4,5-trimethoxybenzamide
SMILESCOc1cc(OC)c(C(=O)NCc2ccc3c(c2)OCO3)cc1OC
InChIInChI=1S/C18H19NO6/c1-21-14-8-16(23-3)15(22-2)7-12(14)18(20)19-9-11-4-5-13-17(6-11)25-10-24-13/h4-8H,9-10H2,1-3H3,(H,19,20)
InChIKeySYTRACCMAHUDOW-UHFFFAOYSA-N
XLogP2.37
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1,3-benzodioxol-5-ylmethyl)-2,4,5-trimethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2,4,5-trimethoxybenzamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2,4,5-trimethoxybenzamide (CID 2200125) is N-(1,3-benzodioxol-5-ylmethyl)-2,4,5-trimethoxybenzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2,4,5-trimethoxybenzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2,4,5-trimethoxybenzamide is COc1cc(OC)c(C(=O)NCc2ccc3c(c2)OCO3)cc1OC.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2,4,5-trimethoxybenzamide?
The InChIKey is SYTRACCMAHUDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO6/c1-21-14-8-16(23-3)15(22-2)7-12(14)18(20)19-9-11-4-5-13-17(6-11)25-10-24-13/h4-8H,9-10H2,1-3H3,(H,19,20).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2,4,5-trimethoxybenzamide?
N-(1,3-benzodioxol-5-ylmethyl)-2,4,5-trimethoxybenzamide has a molecular weight of 345.35 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2,4,5-trimethoxybenzamide is sourced from PubChem (CID 2200125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).