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

C17H21NO3 — CID 4981718

IUPACN-(furan-2-ylmethyl)-3-(3-methylbutoxy)benzamide
SMILESCC(C)CCOc1cccc(C(=O)NCc2ccco2)c1
InChIInChI=1S/C17H21NO3/c1-13(2)8-10-21-15-6-3-5-14(11-15)17(19)18-12-16-7-4-9-20-16/h3-7,9,11,13H,8,10,12H2,1-2H3,(H,18,19)
InChIKeyXTXGAFUYMRYPFC-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.63
Rot. Bonds7

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

N-(furan-2-ylmethyl)-3-(3-methylbutoxy)benzamide (PubChem CID 4981718) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-(3-methylbutoxy)benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-(3-methylbutoxy)benzamide
PubChem CID4981718
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC NameN-(furan-2-ylmethyl)-3-(3-methylbutoxy)benzamide
SMILESCC(C)CCOc1cccc(C(=O)NCc2ccco2)c1
InChIInChI=1S/C17H21NO3/c1-13(2)8-10-21-15-6-3-5-14(11-15)17(19)18-12-16-7-4-9-20-16/h3-7,9,11,13H,8,10,12H2,1-2H3,(H,18,19)
InChIKeyXTXGAFUYMRYPFC-UHFFFAOYSA-N
XLogP3.63
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-(3-methylbutoxy)benzamide
CID 17170974
N-(furan-2-ylmethyl)-2-[3-(3-methylbutoxy)anilino]acetamide
CID 54824768
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
3-(2-ethoxyethoxy)-N-[4-(furan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 28638494
3-(3-methylbutoxy)-N-[2-[[3-(3-methylbutoxy)benzoyl]amino]propyl]benzamide
CID 4982231
N-(furan-2-ylmethyl)-3-methylbenzamide
CID 796307
N-(furan-2-ylmethyl)-4-(2-methoxyethoxy)benzamide
CID 15943207
N-(furan-2-ylmethyl)-3-[[3-(hydroxymethyl)phenoxy]methyl]benzamide
CID 111770257
N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-3-propoxybenzamide
CID 54776757
N-[1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]-3-methoxybenzamide
CID 42704052
N-(furan-2-ylmethyl)-3-(methoxymethyl)benzamide
CID 35808973
N-[3-(3-methylbutoxy)phenyl]furan-2-carboxamide
CID 17097239

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-(3-methylbutoxy)benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-(3-methylbutoxy)benzamide (CID 4981718) is N-(furan-2-ylmethyl)-3-(3-methylbutoxy)benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-(3-methylbutoxy)benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-(3-methylbutoxy)benzamide is CC(C)CCOc1cccc(C(=O)NCc2ccco2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-(3-methylbutoxy)benzamide?
The InChIKey is XTXGAFUYMRYPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-13(2)8-10-21-15-6-3-5-14(11-15)17(19)18-12-16-7-4-9-20-16/h3-7,9,11,13H,8,10,12H2,1-2H3,(H,18,19).
What are the key properties of N-(furan-2-ylmethyl)-3-(3-methylbutoxy)benzamide?
N-(furan-2-ylmethyl)-3-(3-methylbutoxy)benzamide has a molecular weight of 287.36 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-(3-methylbutoxy)benzamide is sourced from PubChem (CID 4981718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).