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

C14H13NO4 — CID 726075

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylfuran-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc3c(c2)OCCO3)co1
InChIInChI=1S/C14H13NO4/c1-9-6-10(8-19-9)14(16)15-11-2-3-12-13(7-11)18-5-4-17-12/h2-3,6-8H,4-5H2,1H3,(H,15,16)
InChIKeyXRIJAXSSCKSOBT-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.61
Rot. Bonds2

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylfuran-3-carboxamide (PubChem CID 726075) 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-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylfuran-3-carboxamide
PubChem CID726075
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylfuran-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc3c(c2)OCCO3)co1
InChIInChI=1S/C14H13NO4/c1-9-6-10(8-19-9)14(16)15-11-2-3-12-13(7-11)18-5-4-17-12/h2-3,6-8H,4-5H2,1H3,(H,15,16)
InChIKeyXRIJAXSSCKSOBT-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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Related Compounds

Fenfuram
CID 90590
N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-ethoxybenzamide
CID 739217
N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 730782
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylbenzamide
CID 732529
2-methyl-N-(4-phenylmethoxyphenyl)furan-3-carboxamide
CID 800833
5-Methyl-furan-3-carboxylic acid (4-methoxy-phenyl)-amide
CID 1075689
N-[4-(benzyloxy)phenyl]-2,5-dimethyl-3-furamide
CID 1247120
(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(furan-2-yl)prop-2-enamide
CID 2162339
N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-3-carboxamide
CID 2815845
5-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylfuran-3-carboxamide
CID 649803
N-(3-Hydroxyphenyl)-2,5-dimethyl-3-furamide
CID 652108
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxybenzamide
CID 652336

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylfuran-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylfuran-3-carboxamide (CID 726075) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylfuran-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylfuran-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylfuran-3-carboxamide is Cc1cc(C(=O)Nc2ccc3c(c2)OCCO3)co1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylfuran-3-carboxamide?
The InChIKey is XRIJAXSSCKSOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-9-6-10(8-19-9)14(16)15-11-2-3-12-13(7-11)18-5-4-17-12/h2-3,6-8H,4-5H2,1H3,(H,15,16).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylfuran-3-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylfuran-3-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-3-carboxamide is sourced from PubChem (CID 726075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).