2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(2,4,5-trimethoxyphenyl)acetamide

C19H21NO6 — CID 4110229

IUPAC2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(2,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(OC)c(OC)cc1NC(=O)CC1COc2ccccc2O1
InChIInChI=1S/C19H21NO6/c1-22-16-10-18(24-3)17(23-2)9-13(16)20-19(21)8-12-11-25-14-6-4-5-7-15(14)26-12/h4-7,9-10,12H,8,11H2,1-3H3,(H,20,21)
InChIKeyPFFURZQEWHNROO-UHFFFAOYSA-N
MW359.38 g/mol
LogP2.88
Rot. Bonds6

About 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(2,4,5-trimethoxyphenyl)acetamide

2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(2,4,5-trimethoxyphenyl)acetamide (PubChem CID 4110229) has the molecular formula C19H21NO6 and a molecular weight of 359.38 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(2,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(2,4,5-trimethoxyphenyl)acetamide
PubChem CID4110229
Molecular FormulaC19H21NO6
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(2,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(OC)c(OC)cc1NC(=O)CC1COc2ccccc2O1
InChIInChI=1S/C19H21NO6/c1-22-16-10-18(24-3)17(23-2)9-13(16)20-19(21)8-12-11-25-14-6-4-5-7-15(14)26-12/h4-7,9-10,12H,8,11H2,1-3H3,(H,20,21)
InChIKeyPFFURZQEWHNROO-UHFFFAOYSA-N
XLogP2.88
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(2,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(2,4,5-trimethoxyphenyl)acetamide (CID 4110229) is 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(2,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(2,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(2,4,5-trimethoxyphenyl)acetamide is COc1cc(OC)c(OC)cc1NC(=O)CC1COc2ccccc2O1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(2,4,5-trimethoxyphenyl)acetamide?
The InChIKey is PFFURZQEWHNROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO6/c1-22-16-10-18(24-3)17(23-2)9-13(16)20-19(21)8-12-11-25-14-6-4-5-7-15(14)26-12/h4-7,9-10,12H,8,11H2,1-3H3,(H,20,21).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(2,4,5-trimethoxyphenyl)acetamide?
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(2,4,5-trimethoxyphenyl)acetamide has a molecular weight of 359.38 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(2,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 4110229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).