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

C15H15NO4 — CID 701527

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc3c(c2)OCCO3)c(C)o1
InChIInChI=1S/C15H15NO4/c1-9-7-12(10(2)20-9)15(17)16-11-3-4-13-14(8-11)19-6-5-18-13/h3-4,7-8H,5-6H2,1-2H3,(H,16,17)
InChIKeyNVWWYVKOQDKIOB-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.92
Rot. Bonds2

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethylfuran-3-carboxamide (PubChem CID 701527) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethylfuran-3-carboxamide
PubChem CID701527
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc3c(c2)OCCO3)c(C)o1
InChIInChI=1S/C15H15NO4/c1-9-7-12(10(2)20-9)15(17)16-11-3-4-13-14(8-11)19-6-5-18-13/h3-4,7-8H,5-6H2,1-2H3,(H,16,17)
InChIKeyNVWWYVKOQDKIOB-UHFFFAOYSA-N
XLogP2.92
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Fenfuram
CID 90590
2,5-Dimethyl-3-furancarboxanilide
CID 34281
N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-ethoxybenzamide
CID 739217
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-propoxybenzamide
CID 2173748
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylbenzamide
CID 769398
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
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethoxybenzamide
CID 786352
2-methyl-N-(4-phenylmethoxyphenyl)furan-3-carboxamide
CID 800833
N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 841491
5-Methyl-furan-3-carboxylic acid (4-methoxy-phenyl)-amide
CID 1075689
N-[4-(benzyloxy)phenyl]-2,5-dimethyl-3-furamide
CID 1247120

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethylfuran-3-carboxamide (CID 701527) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)Nc2ccc3c(c2)OCCO3)c(C)o1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethylfuran-3-carboxamide?
The InChIKey is NVWWYVKOQDKIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-9-7-12(10(2)20-9)15(17)16-11-3-4-13-14(8-11)19-6-5-18-13/h3-4,7-8H,5-6H2,1-2H3,(H,16,17).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethylfuran-3-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethylfuran-3-carboxamide has a molecular weight of 273.29 g/mol, XLogP of 2.92, 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)-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 701527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).