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

C16H19NO3 — CID 19463410

IUPAC5-[(3,5-dimethylphenoxy)methyl]-N-ethylfuran-2-carboxamide
SMILESCCNC(=O)c1ccc(COc2cc(C)cc(C)c2)o1
InChIInChI=1S/C16H19NO3/c1-4-17-16(18)15-6-5-13(20-15)10-19-14-8-11(2)7-12(3)9-14/h5-9H,4,10H2,1-3H3,(H,17,18)
InChIKeyBIESSQVSYMWSBE-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.23
Rot. Bonds5

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

5-[(3,5-dimethylphenoxy)methyl]-N-ethylfuran-2-carboxamide (PubChem CID 19463410) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 5-[(3,5-dimethylphenoxy)methyl]-N-ethylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[(3,5-dimethylphenoxy)methyl]-N-ethylfuran-2-carboxamide
PubChem CID19463410
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name5-[(3,5-dimethylphenoxy)methyl]-N-ethylfuran-2-carboxamide
SMILESCCNC(=O)c1ccc(COc2cc(C)cc(C)c2)o1
InChIInChI=1S/C16H19NO3/c1-4-17-16(18)15-6-5-13(20-15)10-19-14-8-11(2)7-12(3)9-14/h5-9H,4,10H2,1-3H3,(H,17,18)
InChIKeyBIESSQVSYMWSBE-UHFFFAOYSA-N
XLogP3.23
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3,5-dimethylphenoxy)methyl]-N-(2-methoxyethyl)furan-2-carboxamide
CID 19463380
5-[(3,5-dimethylphenoxy)methyl]-N-hexylfuran-2-carboxamide
CID 19463237
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-ethyl-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide
CID 19461733
5-[(4-methylphenoxy)methyl]-N-propylfuran-2-carboxamide
CID 2200397
5-[(3,5-dimethylphenoxy)methyl]-N-(4-phenylphenyl)furan-2-carboxamide
CID 19463303
N-ethyl-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide
CID 19457368
5-[(3-methylphenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 19467228
5-[(2,4-dichlorophenoxy)methyl]-N-ethylfuran-2-carboxamide
CID 19456984
N-[3-(4-bromopyrazol-1-yl)propyl]-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19297483
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19463254

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethylphenoxy)methyl]-N-ethylfuran-2-carboxamide?
The IUPAC name of 5-[(3,5-dimethylphenoxy)methyl]-N-ethylfuran-2-carboxamide (CID 19463410) is 5-[(3,5-dimethylphenoxy)methyl]-N-ethylfuran-2-carboxamide.
What is the SMILES notation for 5-[(3,5-dimethylphenoxy)methyl]-N-ethylfuran-2-carboxamide?
The canonical SMILES for 5-[(3,5-dimethylphenoxy)methyl]-N-ethylfuran-2-carboxamide is CCNC(=O)c1ccc(COc2cc(C)cc(C)c2)o1.
What is the InChIKey of 5-[(3,5-dimethylphenoxy)methyl]-N-ethylfuran-2-carboxamide?
The InChIKey is BIESSQVSYMWSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-4-17-16(18)15-6-5-13(20-15)10-19-14-8-11(2)7-12(3)9-14/h5-9H,4,10H2,1-3H3,(H,17,18).
What are the key properties of 5-[(3,5-dimethylphenoxy)methyl]-N-ethylfuran-2-carboxamide?
5-[(3,5-dimethylphenoxy)methyl]-N-ethylfuran-2-carboxamide has a molecular weight of 273.33 g/mol, XLogP of 3.23, 5 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-ethylfuran-2-carboxamide is sourced from PubChem (CID 19463410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).