5-[(3,5-dimethylphenoxy)methyl]-N-hexylfuran-2-carboxamide

C20H27NO3 — CID 19463237

IUPAC5-[(3,5-dimethylphenoxy)methyl]-N-hexylfuran-2-carboxamide
SMILESCCCCCCNC(=O)c1ccc(COc2cc(C)cc(C)c2)o1
InChIInChI=1S/C20H27NO3/c1-4-5-6-7-10-21-20(22)19-9-8-17(24-19)14-23-18-12-15(2)11-16(3)13-18/h8-9,11-13H,4-7,10,14H2,1-3H3,(H,21,22)
InChIKeyFOXLSRWUQUAKAT-UHFFFAOYSA-N
MW329.44 g/mol
LogP4.79
Rot. Bonds9

About 5-[(3,5-dimethylphenoxy)methyl]-N-hexylfuran-2-carboxamide

5-[(3,5-dimethylphenoxy)methyl]-N-hexylfuran-2-carboxamide (PubChem CID 19463237) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is 5-[(3,5-dimethylphenoxy)methyl]-N-hexylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[(3,5-dimethylphenoxy)methyl]-N-hexylfuran-2-carboxamide
PubChem CID19463237
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name5-[(3,5-dimethylphenoxy)methyl]-N-hexylfuran-2-carboxamide
SMILESCCCCCCNC(=O)c1ccc(COc2cc(C)cc(C)c2)o1
InChIInChI=1S/C20H27NO3/c1-4-5-6-7-10-21-20(22)19-9-8-17(24-19)14-23-18-12-15(2)11-16(3)13-18/h8-9,11-13H,4-7,10,14H2,1-3H3,(H,21,22)
InChIKeyFOXLSRWUQUAKAT-UHFFFAOYSA-N
XLogP4.79
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 54.79
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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Related Compounds

5-[(3,5-dimethylphenoxy)methyl]-N-ethylfuran-2-carboxamide
CID 19463410
5-[(3,5-dimethylphenoxy)methyl]-N-(2-methoxyethyl)furan-2-carboxamide
CID 19463380
N-hexyl-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide
CID 19457206
5-[(4-methylphenoxy)methyl]-N-propylfuran-2-carboxamide
CID 2200397
N-butyl-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19452808
N-[3-(4-bromopyrazol-1-yl)propyl]-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19297483
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19295449
5-[(2-chloro-4-fluorophenoxy)methyl]-N-hexylfuran-2-carboxamide
CID 19452883
5-(aminomethyl)-N-octylfuran-2-carboxamide
CID 115567865
5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxylic acid
CID 725878
N-(4-acetamidophenyl)-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19463236
N-hexyl-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19446298

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethylphenoxy)methyl]-N-hexylfuran-2-carboxamide?
The IUPAC name of 5-[(3,5-dimethylphenoxy)methyl]-N-hexylfuran-2-carboxamide (CID 19463237) is 5-[(3,5-dimethylphenoxy)methyl]-N-hexylfuran-2-carboxamide.
What is the SMILES notation for 5-[(3,5-dimethylphenoxy)methyl]-N-hexylfuran-2-carboxamide?
The canonical SMILES for 5-[(3,5-dimethylphenoxy)methyl]-N-hexylfuran-2-carboxamide is CCCCCCNC(=O)c1ccc(COc2cc(C)cc(C)c2)o1.
What is the InChIKey of 5-[(3,5-dimethylphenoxy)methyl]-N-hexylfuran-2-carboxamide?
The InChIKey is FOXLSRWUQUAKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3/c1-4-5-6-7-10-21-20(22)19-9-8-17(24-19)14-23-18-12-15(2)11-16(3)13-18/h8-9,11-13H,4-7,10,14H2,1-3H3,(H,21,22).
What are the key properties of 5-[(3,5-dimethylphenoxy)methyl]-N-hexylfuran-2-carboxamide?
5-[(3,5-dimethylphenoxy)methyl]-N-hexylfuran-2-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 4.79, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethylphenoxy)methyl]-N-hexylfuran-2-carboxamide is sourced from PubChem (CID 19463237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).