N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide

C18H15NO4 — CID 797294

IUPACN-(1,3-benzodioxol-5-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCc2ccc3c(c2)OCO3)oc2ccccc12
InChIInChI=1S/C18H15NO4/c1-11-13-4-2-3-5-14(13)23-17(11)18(20)19-9-12-6-7-15-16(8-12)22-10-21-15/h2-8H,9-10H2,1H3,(H,19,20)
InChIKeyOLFWCQBRALLWNT-UHFFFAOYSA-N
MW309.32 g/mol
LogP3.40
Rot. Bonds3

About N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 797294) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide
PubChem CID797294
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCc2ccc3c(c2)OCO3)oc2ccccc12
InChIInChI=1S/C18H15NO4/c1-11-13-4-2-3-5-14(13)23-17(11)18(20)19-9-12-6-7-15-16(8-12)22-10-21-15/h2-8H,9-10H2,1H3,(H,19,20)
InChIKeyOLFWCQBRALLWNT-UHFFFAOYSA-N
XLogP3.40
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 53.40
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)-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide (CID 797294) is N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)NCc2ccc3c(c2)OCO3)oc2ccccc12.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is OLFWCQBRALLWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/c1-11-13-4-2-3-5-14(13)23-17(11)18(20)19-9-12-6-7-15-16(8-12)22-10-21-15/h2-8H,9-10H2,1H3,(H,19,20).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 309.32 g/mol, XLogP of 3.40, 3 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)-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 797294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).