5-(1,3-benzodioxol-5-yloxymethyl)-N-(2-methoxyethyl)furan-2-carboxamide

C16H17NO6 — CID 19465699

IUPAC5-(1,3-benzodioxol-5-yloxymethyl)-N-(2-methoxyethyl)furan-2-carboxamide
SMILESCOCCNC(=O)c1ccc(COc2ccc3c(c2)OCO3)o1
InChIInChI=1S/C16H17NO6/c1-19-7-6-17-16(18)14-5-3-12(23-14)9-20-11-2-4-13-15(8-11)22-10-21-13/h2-5,8H,6-7,9-10H2,1H3,(H,17,18)
InChIKeyDRYLWSNFTMGVDC-UHFFFAOYSA-N
MW319.31 g/mol
LogP1.96
Rot. Bonds7

About 5-(1,3-benzodioxol-5-yloxymethyl)-N-(2-methoxyethyl)furan-2-carboxamide

5-(1,3-benzodioxol-5-yloxymethyl)-N-(2-methoxyethyl)furan-2-carboxamide (PubChem CID 19465699) has the molecular formula C16H17NO6 and a molecular weight of 319.31 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yloxymethyl)-N-(2-methoxyethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-yloxymethyl)-N-(2-methoxyethyl)furan-2-carboxamide
PubChem CID19465699
Molecular FormulaC16H17NO6
Molecular Weight319.31 g/mol
Exact Mass319.11
IUPAC Name5-(1,3-benzodioxol-5-yloxymethyl)-N-(2-methoxyethyl)furan-2-carboxamide
SMILESCOCCNC(=O)c1ccc(COc2ccc3c(c2)OCO3)o1
InChIInChI=1S/C16H17NO6/c1-19-7-6-17-16(18)14-5-3-12(23-14)9-20-11-2-4-13-15(8-11)22-10-21-13/h2-5,8H,6-7,9-10H2,1H3,(H,17,18)
InChIKeyDRYLWSNFTMGVDC-UHFFFAOYSA-N
XLogP1.96
TPSA79.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-(1,3-benzodioxol-5-yloxymethyl)-N-(2-methoxyethyl)furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(3,5-dimethylphenoxy)methyl]-N-(2-methoxyethyl)furan-2-carboxamide
CID 19463380
5-(1,3-benzodioxol-5-yloxymethyl)-N-(4-ethoxyphenyl)furan-2-carboxamide
CID 19463936
N-(2-methoxyethyl)-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19448238
5-(1,3-benzodioxol-5-yloxymethyl)-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]furan-2-carboxamide
CID 19465732
3-(1,3-benzodioxol-5-yloxymethyl)-N-(2-methoxyethyl)-1,2,4-oxadiazole-5-carboxamide
CID 29128059
5-(1,3-benzodioxol-5-yloxymethyl)-N-[2-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 19463886
5-(1,3-benzodioxol-5-yloxymethyl)-N-(4-methyl-2-nitrophenyl)furan-2-carboxamide
CID 19463925
2-(1,3-benzodioxol-5-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 110767410
5-[[1,3-benzodioxol-5-ylmethyl(benzyl)amino]methyl]-N-(3-methoxypropyl)furan-2-carboxamide
CID 42753681
5-(1,3-benzodioxol-5-yloxymethyl)-N-(4-cyano-1-methylpyrazol-5-yl)furan-2-carboxamide
CID 19465733
5-(1,3-benzodioxol-5-yloxymethyl)-N-[2-(difluoromethoxy)phenyl]furan-2-carboxamide
CID 19465619
N-(1,3-benzodioxol-5-ylmethyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 35326826

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yloxymethyl)-N-(2-methoxyethyl)furan-2-carboxamide?
The IUPAC name of 5-(1,3-benzodioxol-5-yloxymethyl)-N-(2-methoxyethyl)furan-2-carboxamide (CID 19465699) is 5-(1,3-benzodioxol-5-yloxymethyl)-N-(2-methoxyethyl)furan-2-carboxamide.
What is the SMILES notation for 5-(1,3-benzodioxol-5-yloxymethyl)-N-(2-methoxyethyl)furan-2-carboxamide?
The canonical SMILES for 5-(1,3-benzodioxol-5-yloxymethyl)-N-(2-methoxyethyl)furan-2-carboxamide is COCCNC(=O)c1ccc(COc2ccc3c(c2)OCO3)o1.
What is the InChIKey of 5-(1,3-benzodioxol-5-yloxymethyl)-N-(2-methoxyethyl)furan-2-carboxamide?
The InChIKey is DRYLWSNFTMGVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO6/c1-19-7-6-17-16(18)14-5-3-12(23-14)9-20-11-2-4-13-15(8-11)22-10-21-13/h2-5,8H,6-7,9-10H2,1H3,(H,17,18).
What are the key properties of 5-(1,3-benzodioxol-5-yloxymethyl)-N-(2-methoxyethyl)furan-2-carboxamide?
5-(1,3-benzodioxol-5-yloxymethyl)-N-(2-methoxyethyl)furan-2-carboxamide has a molecular weight of 319.31 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-yloxymethyl)-N-(2-methoxyethyl)furan-2-carboxamide is sourced from PubChem (CID 19465699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).