N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylfuran-2-carboxamide

C14H13NO4 — CID 868283

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)o1
InChIInChI=1S/C14H13NO4/c1-9-2-4-12(19-9)14(16)15-10-3-5-11-13(8-10)18-7-6-17-11/h2-5,8H,6-7H2,1H3,(H,15,16)
InChIKeyAORIQXYNAWCFHI-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.61
Rot. Bonds2

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylfuran-2-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylfuran-2-carboxamide (PubChem CID 868283) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylfuran-2-carboxamide
PubChem CID868283
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)o1
InChIInChI=1S/C14H13NO4/c1-9-2-4-12(19-9)14(16)15-10-3-5-11-13(8-10)18-7-6-17-11/h2-5,8H,6-7H2,1H3,(H,15,16)
InChIKeyAORIQXYNAWCFHI-UHFFFAOYSA-N
XLogP2.61
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylfuran-2-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylfuran-2-carboxamide (CID 868283) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylfuran-2-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylfuran-2-carboxamide is Cc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)o1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylfuran-2-carboxamide?
The InChIKey is AORIQXYNAWCFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-9-2-4-12(19-9)14(16)15-10-3-5-11-13(8-10)18-7-6-17-11/h2-5,8H,6-7H2,1H3,(H,15,16).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylfuran-2-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylfuran-2-carboxamide has a molecular weight of 259.26 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylfuran-2-carboxamide is sourced from PubChem (CID 868283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).