N-(2,2-dimethyl-1,3-benzodioxol-5-yl)furan-2-carboxamide

C14H13NO4 — CID 723583

IUPACN-(2,2-dimethyl-1,3-benzodioxol-5-yl)furan-2-carboxamide
SMILESCC1(C)Oc2ccc(NC(=O)c3ccco3)cc2O1
InChIInChI=1S/C14H13NO4/c1-14(2)18-10-6-5-9(8-12(10)19-14)15-13(16)11-4-3-7-17-11/h3-8H,1-2H3,(H,15,16)
InChIKeyBNCBHEVASLYXPH-UHFFFAOYSA-N
MW259.26 g/mol
LogP3.04
Rot. Bonds2

About N-(2,2-dimethyl-1,3-benzodioxol-5-yl)furan-2-carboxamide

N-(2,2-dimethyl-1,3-benzodioxol-5-yl)furan-2-carboxamide (PubChem CID 723583) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is N-(2,2-dimethyl-1,3-benzodioxol-5-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-1,3-benzodioxol-5-yl)furan-2-carboxamide
PubChem CID723583
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC NameN-(2,2-dimethyl-1,3-benzodioxol-5-yl)furan-2-carboxamide
SMILESCC1(C)Oc2ccc(NC(=O)c3ccco3)cc2O1
InChIInChI=1S/C14H13NO4/c1-14(2)18-10-6-5-9(8-12(10)19-14)15-13(16)11-4-3-7-17-11/h3-8H,1-2H3,(H,15,16)
InChIKeyBNCBHEVASLYXPH-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4'-Methoxy-2-furanilide
CID 303388
N-(3-methoxyphenyl)furan-2-carboxamide
CID 669405
N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)furan-2-carboxamide
CID 734541
Methyl [4-(2-furoylamino)phenoxy]acetate
CID 892442
N-(3,4-dimethoxyphenyl)-N'-(2-furylmethyl)urea
CID 970043
Propanoic acid [4-[[2-furanyl(oxo)methyl]amino]phenyl] ester
CID 1250934
(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(furan-2-yl)prop-2-enamide
CID 2162339
(E)-N-(1,3-benzodioxol-5-yl)-3-(furan-2-yl)prop-2-enamide
CID 2303048
[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl] butanoate
CID 2428735
N-(1,3-benzodioxol-5-yl)-3-methyl-1-benzofuran-2-carboxamide
CID 2469830
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,5-dimethylfuran-2-carboxamide
CID 2650227
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]furan-2-carboxamide
CID 6461351

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-1,3-benzodioxol-5-yl)furan-2-carboxamide?
The IUPAC name of N-(2,2-dimethyl-1,3-benzodioxol-5-yl)furan-2-carboxamide (CID 723583) is N-(2,2-dimethyl-1,3-benzodioxol-5-yl)furan-2-carboxamide.
What is the SMILES notation for N-(2,2-dimethyl-1,3-benzodioxol-5-yl)furan-2-carboxamide?
The canonical SMILES for N-(2,2-dimethyl-1,3-benzodioxol-5-yl)furan-2-carboxamide is CC1(C)Oc2ccc(NC(=O)c3ccco3)cc2O1.
What is the InChIKey of N-(2,2-dimethyl-1,3-benzodioxol-5-yl)furan-2-carboxamide?
The InChIKey is BNCBHEVASLYXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-14(2)18-10-6-5-9(8-12(10)19-14)15-13(16)11-4-3-7-17-11/h3-8H,1-2H3,(H,15,16).
What are the key properties of N-(2,2-dimethyl-1,3-benzodioxol-5-yl)furan-2-carboxamide?
N-(2,2-dimethyl-1,3-benzodioxol-5-yl)furan-2-carboxamide has a molecular weight of 259.26 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-1,3-benzodioxol-5-yl)furan-2-carboxamide is sourced from PubChem (CID 723583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).