N-(furan-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

C14H13NO4 — CID 2970991

IUPACN-(furan-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESO=C(NCc1ccco1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H13NO4/c16-14(15-9-11-2-1-5-17-11)10-3-4-12-13(8-10)19-7-6-18-12/h1-5,8H,6-7,9H2,(H,15,16)
InChIKeyYHMGMKQOYXOWCO-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.98
Rot. Bonds3

About N-(furan-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

N-(furan-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 2970991) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
PubChem CID2970991
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC NameN-(furan-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESO=C(NCc1ccco1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H13NO4/c16-14(15-9-11-2-1-5-17-11)10-3-4-12-13(8-10)19-7-6-18-12/h1-5,8H,6-7,9H2,(H,15,16)
InChIKeyYHMGMKQOYXOWCO-UHFFFAOYSA-N
XLogP1.98
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 2970991) is N-(furan-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is O=C(NCc1ccco1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-(furan-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The InChIKey is YHMGMKQOYXOWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c16-14(15-9-11-2-1-5-17-11)10-3-4-12-13(8-10)19-7-6-18-12/h1-5,8H,6-7,9H2,(H,15,16).
What are the key properties of N-(furan-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
N-(furan-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide has a molecular weight of 259.26 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 2970991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).