2-methyl-N-(4-phenylbutyl)furan-3-carboxamide

C16H19NO2 — CID 2164788

IUPAC2-methyl-N-(4-phenylbutyl)furan-3-carboxamide
SMILESCc1occc1C(=O)NCCCCc1ccccc1
InChIInChI=1S/C16H19NO2/c1-13-15(10-12-19-13)16(18)17-11-6-5-9-14-7-3-2-4-8-14/h2-4,7-8,10,12H,5-6,9,11H2,1H3,(H,17,18)
InChIKeyQGFHEPNKRAXCFN-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.34
Rot. Bonds6

About 2-methyl-N-(4-phenylbutyl)furan-3-carboxamide

2-methyl-N-(4-phenylbutyl)furan-3-carboxamide (PubChem CID 2164788) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-methyl-N-(4-phenylbutyl)furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(4-phenylbutyl)furan-3-carboxamide
PubChem CID2164788
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name2-methyl-N-(4-phenylbutyl)furan-3-carboxamide
SMILESCc1occc1C(=O)NCCCCc1ccccc1
InChIInChI=1S/C16H19NO2/c1-13-15(10-12-19-13)16(18)17-11-6-5-9-14-7-3-2-4-8-14/h2-4,7-8,10,12H,5-6,9,11H2,1H3,(H,17,18)
InChIKeyQGFHEPNKRAXCFN-UHFFFAOYSA-N
XLogP3.34
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-methyl-N-(4-phenylbutyl)furan-3-carboxamide?
The IUPAC name of 2-methyl-N-(4-phenylbutyl)furan-3-carboxamide (CID 2164788) is 2-methyl-N-(4-phenylbutyl)furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(4-phenylbutyl)furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-(4-phenylbutyl)furan-3-carboxamide is Cc1occc1C(=O)NCCCCc1ccccc1.
What is the InChIKey of 2-methyl-N-(4-phenylbutyl)furan-3-carboxamide?
The InChIKey is QGFHEPNKRAXCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-13-15(10-12-19-13)16(18)17-11-6-5-9-14-7-3-2-4-8-14/h2-4,7-8,10,12H,5-6,9,11H2,1H3,(H,17,18).
What are the key properties of 2-methyl-N-(4-phenylbutyl)furan-3-carboxamide?
2-methyl-N-(4-phenylbutyl)furan-3-carboxamide has a molecular weight of 257.33 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-phenylbutyl)furan-3-carboxamide is sourced from PubChem (CID 2164788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).