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

C19H19NO4 — CID 167780671

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCC1Oc2ccc(C(=O)Nc3ccc4c(c3)OCCO4)cc2C1C
InChIInChI=1S/C19H19NO4/c1-11-12(2)24-16-5-3-13(9-15(11)16)19(21)20-14-4-6-17-18(10-14)23-8-7-22-17/h3-6,9-12H,7-8H2,1-2H3,(H,20,21)
InChIKeyVFLGGVNBQGWNRQ-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.59
Rot. Bonds2

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 167780671) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID167780671
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCC1Oc2ccc(C(=O)Nc3ccc4c(c3)OCCO4)cc2C1C
InChIInChI=1S/C19H19NO4/c1-11-12(2)24-16-5-3-13(9-15(11)16)19(21)20-14-4-6-17-18(10-14)23-8-7-22-17/h3-6,9-12H,7-8H2,1-2H3,(H,20,21)
InChIKeyVFLGGVNBQGWNRQ-UHFFFAOYSA-N
XLogP3.59
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-5-carboxamide with MolForge

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Related Compounds

4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109049446
4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 732526
3-amino-4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 61095483
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(dimethylsulfamoyl)-4-fluorobenzamide
CID 55792690
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(methylsulfanylmethyl)benzamide
CID 18108018
3-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109056943
N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 841491
3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluorobenzamide
CID 110764768
2-N,5-N-bis(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2,5-dicarboxamide
CID 2931160
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-6-oxopyridine-3-carboxamide
CID 110693119
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043993
3-bromo-N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)phenyl]benzamide
CID 2220429

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-5-carboxamide (CID 167780671) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-5-carboxamide is CC1Oc2ccc(C(=O)Nc3ccc4c(c3)OCCO4)cc2C1C.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is VFLGGVNBQGWNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-11-12(2)24-16-5-3-13(9-15(11)16)19(21)20-14-4-6-17-18(10-14)23-8-7-22-17/h3-6,9-12H,7-8H2,1-2H3,(H,20,21).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-5-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 325.36 g/mol, XLogP of 3.59, 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)-2,3-dimethyl-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 167780671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).