5-amino-N-(1,3-benzodioxol-5-ylmethyl)furan-2-carboxamide

C13H12N2O4 — CID 82344120

IUPAC5-amino-N-(1,3-benzodioxol-5-ylmethyl)furan-2-carboxamide
SMILESNc1ccc(C(=O)NCc2ccc3c(c2)OCO3)o1
InChIInChI=1S/C13H12N2O4/c14-12-4-3-10(19-12)13(16)15-6-8-1-2-9-11(5-8)18-7-17-9/h1-5H,6-7,14H2,(H,15,16)
InChIKeyNLZTXEDTRXGAOS-UHFFFAOYSA-N
MW260.25 g/mol
LogP1.52
Rot. Bonds3

About 5-amino-N-(1,3-benzodioxol-5-ylmethyl)furan-2-carboxamide

5-amino-N-(1,3-benzodioxol-5-ylmethyl)furan-2-carboxamide (PubChem CID 82344120) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 5-amino-N-(1,3-benzodioxol-5-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(1,3-benzodioxol-5-ylmethyl)furan-2-carboxamide
PubChem CID82344120
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name5-amino-N-(1,3-benzodioxol-5-ylmethyl)furan-2-carboxamide
SMILESNc1ccc(C(=O)NCc2ccc3c(c2)OCO3)o1
InChIInChI=1S/C13H12N2O4/c14-12-4-3-10(19-12)13(16)15-6-8-1-2-9-11(5-8)18-7-17-9/h1-5H,6-7,14H2,(H,15,16)
InChIKeyNLZTXEDTRXGAOS-UHFFFAOYSA-N
XLogP1.52
TPSA86.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-4,5-dimethylfuran-2-carboxamide
CID 110697623
2-amino-N-(1,3-benzodioxol-5-ylmethyl)-5-bromobenzamide
CID 19701963
N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-1-benzofuran-2-carboxamide
CID 9036179
5-(4-acetylphenyl)-N-(1,3-benzodioxol-5-ylmethyl)furan-2-carboxamide
CID 17460136
N-(1,3-benzodioxol-5-ylmethyl)-4-[[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]methyl]benzamide
CID 171432416
N'-(1,3-benzodioxol-5-ylmethyl)oxamide
CID 3122126
1-amino-3-(1,3-benzodioxol-5-ylmethyl)urea
CID 62905779
N-(1,3-benzodioxol-5-ylmethyl)-4-propylbenzamide
CID 2811298
N-(1,3-benzodioxol-5-ylmethyl)pyridine-4-carboxamide
CID 2089022
2-(1,3-benzodioxol-5-ylmethylcarbamoyl)cyclohexene-1-carboxylic acid
CID 2812905
5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)furan-2-carboxamide
CID 27761113
3-N,5-N-bis(1,3-benzodioxol-5-ylmethyl)pyridine-3,5-dicarboxamide
CID 69355147

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1,3-benzodioxol-5-ylmethyl)furan-2-carboxamide?
The IUPAC name of 5-amino-N-(1,3-benzodioxol-5-ylmethyl)furan-2-carboxamide (CID 82344120) is 5-amino-N-(1,3-benzodioxol-5-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for 5-amino-N-(1,3-benzodioxol-5-ylmethyl)furan-2-carboxamide?
The canonical SMILES for 5-amino-N-(1,3-benzodioxol-5-ylmethyl)furan-2-carboxamide is Nc1ccc(C(=O)NCc2ccc3c(c2)OCO3)o1.
What is the InChIKey of 5-amino-N-(1,3-benzodioxol-5-ylmethyl)furan-2-carboxamide?
The InChIKey is NLZTXEDTRXGAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c14-12-4-3-10(19-12)13(16)15-6-8-1-2-9-11(5-8)18-7-17-9/h1-5H,6-7,14H2,(H,15,16).
What are the key properties of 5-amino-N-(1,3-benzodioxol-5-ylmethyl)furan-2-carboxamide?
5-amino-N-(1,3-benzodioxol-5-ylmethyl)furan-2-carboxamide has a molecular weight of 260.25 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1,3-benzodioxol-5-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 82344120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).