3-butoxy-N-(furan-2-ylmethyl)benzamide

C16H19NO3 — CID 3236227

IUPAC3-butoxy-N-(furan-2-ylmethyl)benzamide
SMILESCCCCOc1cccc(C(=O)NCc2ccco2)c1
InChIInChI=1S/C16H19NO3/c1-2-3-9-19-14-7-4-6-13(11-14)16(18)17-12-15-8-5-10-20-15/h4-8,10-11H,2-3,9,12H2,1H3,(H,17,18)
InChIKeyRLVZQVIXBQEMCO-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.39
Rot. Bonds7

About 3-butoxy-N-(furan-2-ylmethyl)benzamide

3-butoxy-N-(furan-2-ylmethyl)benzamide (PubChem CID 3236227) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 3-butoxy-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-butoxy-N-(furan-2-ylmethyl)benzamide
PubChem CID3236227
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name3-butoxy-N-(furan-2-ylmethyl)benzamide
SMILESCCCCOc1cccc(C(=O)NCc2ccco2)c1
InChIInChI=1S/C16H19NO3/c1-2-3-9-19-14-7-4-6-13(11-14)16(18)17-12-15-8-5-10-20-15/h4-8,10-11H,2-3,9,12H2,1H3,(H,17,18)
InChIKeyRLVZQVIXBQEMCO-UHFFFAOYSA-N
XLogP3.39
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-butoxy-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 3-butoxy-N-(furan-2-ylmethyl)benzamide (CID 3236227) is 3-butoxy-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-butoxy-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 3-butoxy-N-(furan-2-ylmethyl)benzamide is CCCCOc1cccc(C(=O)NCc2ccco2)c1.
What is the InChIKey of 3-butoxy-N-(furan-2-ylmethyl)benzamide?
The InChIKey is RLVZQVIXBQEMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-2-3-9-19-14-7-4-6-13(11-14)16(18)17-12-15-8-5-10-20-15/h4-8,10-11H,2-3,9,12H2,1H3,(H,17,18).
What are the key properties of 3-butoxy-N-(furan-2-ylmethyl)benzamide?
3-butoxy-N-(furan-2-ylmethyl)benzamide has a molecular weight of 273.33 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 3236227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).