N-(1,3-benzodioxol-5-ylmethyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide

C19H17NO4 — CID 2081463

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
SMILESCc1ccc2c(CC(=O)NCc3ccc4c(c3)OCO4)coc2c1
InChIInChI=1S/C19H17NO4/c1-12-2-4-15-14(10-22-17(15)6-12)8-19(21)20-9-13-3-5-16-18(7-13)24-11-23-16/h2-7,10H,8-9,11H2,1H3,(H,20,21)
InChIKeyIVJHRAPQXOEZHO-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.33
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide

N-(1,3-benzodioxol-5-ylmethyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide (PubChem CID 2081463) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
PubChem CID2081463
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
SMILESCc1ccc2c(CC(=O)NCc3ccc4c(c3)OCO4)coc2c1
InChIInChI=1S/C19H17NO4/c1-12-2-4-15-14(10-22-17(15)6-12)8-19(21)20-9-13-3-5-16-18(7-13)24-11-23-16/h2-7,10H,8-9,11H2,1H3,(H,20,21)
InChIKeyIVJHRAPQXOEZHO-UHFFFAOYSA-N
XLogP3.33
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide (CID 2081463) is N-(1,3-benzodioxol-5-ylmethyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide is Cc1ccc2c(CC(=O)NCc3ccc4c(c3)OCO4)coc2c1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide?
The InChIKey is IVJHRAPQXOEZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-12-2-4-15-14(10-22-17(15)6-12)8-19(21)20-9-13-3-5-16-18(7-13)24-11-23-16/h2-7,10H,8-9,11H2,1H3,(H,20,21).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide has a molecular weight of 323.35 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 2081463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).