N-(1,3-benzodioxol-5-ylmethyl)-4,5-dimethylfuran-2-carboxamide

C15H15NO4 — CID 110697623

IUPACN-(1,3-benzodioxol-5-ylmethyl)-4,5-dimethylfuran-2-carboxamide
SMILESCc1cc(C(=O)NCc2ccc3c(c2)OCO3)oc1C
InChIInChI=1S/C15H15NO4/c1-9-5-14(20-10(9)2)15(17)16-7-11-3-4-12-13(6-11)19-8-18-12/h3-6H,7-8H2,1-2H3,(H,16,17)
InChIKeyGTZXZTKOFXCWEZ-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.56
Rot. Bonds3

About N-(1,3-benzodioxol-5-ylmethyl)-4,5-dimethylfuran-2-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-4,5-dimethylfuran-2-carboxamide (PubChem CID 110697623) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-4,5-dimethylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-4,5-dimethylfuran-2-carboxamide
PubChem CID110697623
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-4,5-dimethylfuran-2-carboxamide
SMILESCc1cc(C(=O)NCc2ccc3c(c2)OCO3)oc1C
InChIInChI=1S/C15H15NO4/c1-9-5-14(20-10(9)2)15(17)16-7-11-3-4-12-13(6-11)19-8-18-12/h3-6H,7-8H2,1-2H3,(H,16,17)
InChIKeyGTZXZTKOFXCWEZ-UHFFFAOYSA-N
XLogP2.56
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylbenzamide
CID 670710
5-amino-N-(1,3-benzodioxol-5-ylmethyl)furan-2-carboxamide
CID 82344120
N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,2-oxazole-3-carboxamide
CID 110851669
N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 110691869
N-(1,3-benzodioxol-5-ylmethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 715476
N-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide
CID 122175390
N-(1,3-benzodioxol-5-ylmethyl)-4-[[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]methyl]benzamide
CID 171432416
N-(1,3-benzodioxol-5-ylmethyl)-2,4-dimethyl-1-oxidopyridin-1-ium-3-carboxamide
CID 46181856
N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butylbenzamide
CID 673797
N-(1,3-benzodioxol-5-ylmethyl)-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110410345
N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-1-benzofuran-2-carboxamide
CID 9036179
N-(1,3-benzodioxol-5-ylmethyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 35326826

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-4,5-dimethylfuran-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-4,5-dimethylfuran-2-carboxamide (CID 110697623) is N-(1,3-benzodioxol-5-ylmethyl)-4,5-dimethylfuran-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-4,5-dimethylfuran-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-4,5-dimethylfuran-2-carboxamide is Cc1cc(C(=O)NCc2ccc3c(c2)OCO3)oc1C.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-4,5-dimethylfuran-2-carboxamide?
The InChIKey is GTZXZTKOFXCWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-9-5-14(20-10(9)2)15(17)16-7-11-3-4-12-13(6-11)19-8-18-12/h3-6H,7-8H2,1-2H3,(H,16,17).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-4,5-dimethylfuran-2-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-4,5-dimethylfuran-2-carboxamide has a molecular weight of 273.29 g/mol, XLogP of 2.56, 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)-4,5-dimethylfuran-2-carboxamide is sourced from PubChem (CID 110697623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).