N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide

C20H19NO5 — CID 4784792

IUPACN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
SMILESCOCc1c(C(=O)NCC2COc3ccccc3O2)oc2ccccc12
InChIInChI=1S/C20H19NO5/c1-23-12-15-14-6-2-3-7-16(14)26-19(15)20(22)21-10-13-11-24-17-8-4-5-9-18(17)25-13/h2-9,13H,10-12H2,1H3,(H,21,22)
InChIKeyZIRNVIPPMGEKMX-UHFFFAOYSA-N
MW353.37 g/mol
LogP3.15
Rot. Bonds5

About N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide (PubChem CID 4784792) has the molecular formula C20H19NO5 and a molecular weight of 353.37 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
PubChem CID4784792
Molecular FormulaC20H19NO5
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
SMILESCOCc1c(C(=O)NCC2COc3ccccc3O2)oc2ccccc12
InChIInChI=1S/C20H19NO5/c1-23-12-15-14-6-2-3-7-16(14)26-19(15)20(22)21-10-13-11-24-17-8-4-5-9-18(17)25-13/h2-9,13H,10-12H2,1H3,(H,21,22)
InChIKeyZIRNVIPPMGEKMX-UHFFFAOYSA-N
XLogP3.15
TPSA69.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide (CID 4784792) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide is COCc1c(C(=O)NCC2COc3ccccc3O2)oc2ccccc12.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide?
The InChIKey is ZIRNVIPPMGEKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5/c1-23-12-15-14-6-2-3-7-16(14)26-19(15)20(22)21-10-13-11-24-17-8-4-5-9-18(17)25-13/h2-9,13H,10-12H2,1H3,(H,21,22).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide has a molecular weight of 353.37 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 4784792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).