3,4-diethoxy-N-(furan-2-ylmethyl)benzamide

C16H19NO4 — CID 783622

IUPAC3,4-diethoxy-N-(furan-2-ylmethyl)benzamide
SMILESCCOc1ccc(C(=O)NCc2ccco2)cc1OCC
InChIInChI=1S/C16H19NO4/c1-3-19-14-8-7-12(10-15(14)20-4-2)16(18)17-11-13-6-5-9-21-13/h5-10H,3-4,11H2,1-2H3,(H,17,18)
InChIKeyOJAGHSBUCUMUCQ-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.01
Rot. Bonds7

About 3,4-diethoxy-N-(furan-2-ylmethyl)benzamide

3,4-diethoxy-N-(furan-2-ylmethyl)benzamide (PubChem CID 783622) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 3,4-diethoxy-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-(furan-2-ylmethyl)benzamide
PubChem CID783622
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name3,4-diethoxy-N-(furan-2-ylmethyl)benzamide
SMILESCCOc1ccc(C(=O)NCc2ccco2)cc1OCC
InChIInChI=1S/C16H19NO4/c1-3-19-14-8-7-12(10-15(14)20-4-2)16(18)17-11-13-6-5-9-21-13/h5-10H,3-4,11H2,1-2H3,(H,17,18)
InChIKeyOJAGHSBUCUMUCQ-UHFFFAOYSA-N
XLogP3.01
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 3,4-diethoxy-N-(furan-2-ylmethyl)benzamide (CID 783622) is 3,4-diethoxy-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 3,4-diethoxy-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 3,4-diethoxy-N-(furan-2-ylmethyl)benzamide is CCOc1ccc(C(=O)NCc2ccco2)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-(furan-2-ylmethyl)benzamide?
The InChIKey is OJAGHSBUCUMUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-3-19-14-8-7-12(10-15(14)20-4-2)16(18)17-11-13-6-5-9-21-13/h5-10H,3-4,11H2,1-2H3,(H,17,18).
What are the key properties of 3,4-diethoxy-N-(furan-2-ylmethyl)benzamide?
3,4-diethoxy-N-(furan-2-ylmethyl)benzamide has a molecular weight of 289.33 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 783622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).